SCHEMBL3825699

SCHEMBL3825699

CCCC(O)O.CS(=O)(=O)O.CS(=O)(=O)O

nearest known ligand 0.38

Known targets — ChEMBL curated mechanism

ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 known ✓ P11229 1/20 0.36
HTR2A known ✓ P28223 1/20 0.36
HTR2C known ✓ P28335 1/20 0.36
ADRA1A known ✓ P35348 1/20 0.36
DRD3 known ✓ P35462 1/20 0.36
SLC6A3 known ✓ Q01959 1/20 0.36
TP53 P04637 1/20 0.38
HDAC7 Q8WUI4 3/20 0.37
HDAC8 Q9BY41 3/20 0.37
HDAC6 Q9UBN7 3/20 0.37
HDAC9 Q9UKV0 3/20 0.37
HDAC5 Q9UQL6 3/20 0.37
HDAC1 Q13547 3/20 0.37
HDAC2 Q92769 3/20 0.37
HDAC3 O15379 2/20 0.37
HDAC4 P56524 2/20 0.37
HDAC10 Q969S8 2/20 0.37
HDAC11 Q96DB2 2/20 0.37
AKR1A1 P14550 1/20 0.36
CHRM3 P20309 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL23631863 1.00 TP53 (0.38) TP53HDAC7HDAC8HDAC6HDAC9
Sulfuric Acid SCHEMBL710697 0.92 TP53 (0.44) TP53HDAC7HDAC8HDAC6HDAC9
Sulfuric Acid SCHEMBL11878806 0.92 TP53 (0.44) TP53HDAC7HDAC8HDAC6HDAC9
SCHEMBL27411357 0.89 TP53 (0.38) TP53HDAC7HDAC8HDAC6HDAC9
SCHEMBL6383889 0.82 TP53 (0.34) TP53HDAC7HDAC8HDAC6HDAC9
SCHEMBL28594594 0.82 S1PR2 (0.37) TP53HDAC1HDAC2CHRM1AKR1A1
SCHEMBL28703 0.82
SCHEMBL11142874 0.82 TSHR (0.42) HDAC7HDAC8HDAC6HDAC9HDAC5
2-Pentanol SCHEMBL10913145 0.81 TP53 (0.41) TP53HDAC7HDAC8HDAC6HDAC9
SCHEMBL7704582 0.79 TSHR (0.39) TP53TSHRCYP3A4NFKB1CA2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3238709-B1 IMPROVED PARENTERAL FORMULATIONS OF LIPOPHILIC PHARMACEUTICAL AGENTS AND METHODS FOR PREPARING AND USING THE SAME PLATFORM BRIGHTWORKS TWO LTD (US) 2020-07-01 EP claimed
EP-3238709-A1 IMPROVED PARENTERAL FORMULATIONS OF LIPOPHILIC PHARMACEUTICAL AGENTS AND METHODS FOR PREPARING AND USING THE SAME PLATFORM BRIGHTWORKS TWO, LTD. (US) 2017-11-01 EP claimed
EP-2701684-B1 IMPROVED PARENTERAL FORMULATIONS OF LIPOPHILIC PHARMACEUTICAL AGENTS AND METHODS FOR PREPARING AND USING THE SAME PLATFORM BRIGHTWORKS TWO LTD (US) 2017-06-14 EP claimed
US-6927001-B1 Non-aqueous electrolytic solution and lithium secondary battery UBE INDUSTRIES, LTD. (JP) 2005-08-09 US claimed
US-10660969-B2 Eight-arm polyethylene glycol derivative, production method therefor, and modified bio-related substance thereof XIAMEN SINOPEG BIOTECH CO., LTD. (CN) 2020-05-26 US disclosed
US-10665897-B2 Lithium secondary battery including phosphite additive SAMSUNG ELECTRONICS CO., LTD. (KR) 2020-05-26 US disclosed
US-10434182-B2 Eight-arm polyethylene glycol derivative, production method therefor, and modified bio-related substance thereof XIAMEN SINOPEG BIOTECH CO., LTD. (CN) 2019-10-08 US disclosed
US-20180214561-A1 EIGHT-ARM POLYETHYLENE GLYCOL DERIVATIVE, PRODUCTION METHOD THEREFOR, AND MODIFIEDBIO-RELATEDSUBSTANCETHEREOF XIAMEN SINOPEG BIOTECH CO., LTD. (CN) 2018-08-02 US disclosed
EP-3315531-A1 8-ARM POLYETHYLENE GLYCOL DERIVATIVE, MANUFACTURING METHOD AND MODIFIED BIO-RELATED SUBSTANCE THEREBY Xiamen Sinopeg Biotech Co., Ltd. (CN) 2018-05-02 EP disclosed
US-20180053967-A1 LITHIUM SECONDARY BATTERY INCLUDING PHOSPHITE ADDITIVE SAMSUNG ELECTRONICS CO., LTD. (KR) 2018-02-22 US disclosed
CN-107108727-A Anti-human VEGF antibodies with exceptionally strong binding affinity for human VEGF-A and cross-reactivity with human VEGF-B 科学和技术研究全国委员会(科尼特) 2017-08-29 CN disclosed
CN-102762208-A Pyrazolopyrimidines and related heterocycles as ck2 inhibitors CYLENE PHARMACEUTICALS INC 2012-10-31 CN disclosed
US-6589941-B1 Preventing or reducing formation of resistance in cytostatic treatment comprising combining BVDU, a salt thereof or BVDU in protected form or in prodrug form with at least one cytostatic agent in order to prevent or reduce the formation RESPROTECT GMBH (DE) 2003-07-08 US disclosed
EP-1296714-A2 METHODS FOR ENHANCING ANTIBODY-INDUCED CELL LYSIS AND TREATING CANCER UNIVERSITY OF IOWA RESEARCH FOUNDATION (US) 2003-04-02 EP disclosed
US-20030026801-A1 Methods for enhancing antibody-induced cell lysis and treating cancer PFIZER INC. 2003-02-06 US disclosed
EP-1280907-A2 METHOD OF MODULATING ACTIVATION OF LYMPHOCYTES VIA MODULATION OF PITUITARY TUMOR TRANSFORMING GENE, RELATED SCREEINING METHODS CEDARS-SINAI MEDICAL CENTER (US) 2003-02-05 EP disclosed
US-20020156033-A1 Immunostimulatory nucleic acids and cancer medicament combination therapy for the treatment of cancer COLEY PHARMACEUTICAL GROUP, INC. 2002-10-24 US disclosed
WO-2001088116-A9 METHOD OF MODULATING ACTIVATION OF LYMPHOCYTES VIA MODULATION OF PITUITARY TUMOR TRANSFORMING GENE, RELATED SCREEINING METHODS CEDARS SINAI MEDICAL CENTER (US) 2002-06-06 WO disclosed
WO-2001097843-A2 METHODS FOR ENHANCING ANTIBODY-INDUCED CELL LYSIS AND TREATING CANCER UNIVERSITY OF IOWA RESEARCH FOUNDATION (US) 2001-12-27 WO disclosed
WO-2001088116-A2 METHOD OF MODULATING ACTIVATION OF LYMPHOCYTES VIA MODULATION OF PITUITARY TUMOR TRANSFORMING GENE, RELATED SCREEINING METHODS CEDARS-SINAI MEDICAL CENTER (US) 2001-11-22 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-10434182-B2 Eight-arm polyethylene glycol derivative, production method therefor, and modified bio-related substance thereof MRPL38, ALG8, MRPS18A CHRM1 4179/4885HTR2A 4645/4885HTR2C 4361/4885
US-10660969-B2 Eight-arm polyethylene glycol derivative, production method therefor, and modified bio-related substance thereof MRPL38, ALG8, COG8 CHRM1 3193/4885HTR2A 4318/4885HTR2C 3828/4885
US-20180214561-A1 EIGHT-ARM POLYETHYLENE GLYCOL DERIVATIVE, PRODUCTION METHOD THEREFOR, AND MODIFIEDBIO-RELATEDSUBSTANCETHEREOF MRPL38, CXCL8, ALG8 CHRM1 3849/4885HTR2A 4461/4885HTR2C 4037/4885
US-10665897-B2 Lithium secondary battery including phosphite additive SCO2, NIBAN2, SLC39A11 CHRM1 407/4885HTR2A 3839/4885HTR2C 3772/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.