Sugi Predict

Sugi Predict / Compounds / SCHEMBL3866692

SCHEMBL3866692

SCHEMBL3866692

CCCCSC(=O)C(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOS3 P29474 1/20 0.43
▸ NOS1 P29475 1/20 0.43
▸ NOS2 P35228 1/20 0.43
▸ CES1 P23141 7/20 0.41
▸ ALDH1A1 P00352 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.36
▸ CES2 O00748 5/20 0.35
▸ GMNN O75496 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ THRB P10828 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ BLM P54132 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ FAAH O00519 4/20 0.34
▸ PLA2G6 O60733 1/20 0.34
▸ ACHE P22303 3/20 0.34
▸ MAOB P27338 1/20 0.34

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
SCHEMBL3864583 0.93 CES2 (0.42) NOS3NOS1NOS2CES1ALDH1A1
SCHEMBL22951385 0.91 CES2 (0.45) CES1ALDH1A1TDP1CES2GMNN
SCHEMBL22951375 0.91 CES2 (0.45) CES1ALDH1A1TDP1CES2GMNN
SCHEMBL22951373 0.91 CES2 (0.45) CES1ALDH1A1TDP1CES2GMNN
SCHEMBL31026388 0.91 CES2 (0.45) CES1ALDH1A1TDP1CES2GMNN
SCHEMBL3869805 0.91 CES2 (0.45) CES1ALDH1A1TDP1CES2GMNN
SCHEMBL3864690 0.85 TDP1 (0.50) NOS3NOS1NOS2CES1ALDH1A1
SCHEMBL12695618 0.82 NOS3 (0.40) NOS3NOS1NOS2CES1ALDH1A1
SCHEMBL15833401 0.81 KDM4E (0.35) TDP1
SCHEMBL24304548 0.80 NOS3 (0.39) NOS3NOS1NOS2CES1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023178167-A1 ASYMMETRIC PIPERAZINE-BASED CATIONIC LIPIDS TRANSLATE BIO, INC. (US) 2023-09-21 — — WO disclosed
US-20210101878-A1 Cannabinergic Compounds And Uses Thereof NORTHEASTERN UNIVERSITY 2021-04-08 — — US disclosed
US-20210032222-A1 FIVE-MEMBERED RING-SUBSTITUTED PYRIDAZINOL COMPOUNDS AND DERIVATIVES, PREPARATION METHODS, HERBICIDAL COMPOSITIONS AND APPLICATIONS THEREOF QINGDAO KINGAGROOT CHEMICAL COMPOUND CO., LTD. (CN) 2021-02-04 — — US disclosed
EP-3091027-A1 5' MODIFIED NUCLEOSIDES AND OLIGOMERIC COMPOUNDS PREPARED THEREFROM Ionis Pharmaceuticals, Inc. (US) 2016-11-09 — — EP disclosed
EP-2625186-B1 5' MODIFIED NUCLEOSIDES AND OLIGOMERIC COMPOUNDS PREPARED THEREFROM IONIS PHARMACEUTICALS INC (US) 2016-07-27 — — EP disclosed
WO-2009136965-A1 COMPOSITIONS AND METHODS COMPRISING CAPURAMYCIN ANALOGUES SEQUELLA, INC. (US) 2009-11-12 — — WO disclosed
US-20090281054-A1 COMPOSITIONS AND METHODS COMPRISING CAPURAMYCIN ANALOGUES SEQUELLA, INC. 2009-11-12 — — US disclosed
US-20090149444-A1 Benzylamine analogues BTG INTERNATIONAL LIMITED (GB) 2009-06-11 — — US disclosed
US-7514475-B2 Benzylamine analogues BTG INTERNATIONAL LIMITED (GB) 2009-04-07 — — US disclosed
US-7504393-B2 Benzylamine analogues BTG INTERNATIONAL LIMITED (GB) 2009-03-17 — — US disclosed
US-6844173-B2 Strain of Streptomyces griseus SANKYO COMPANY, LIMITED (JP) 2005-01-18 — — US disclosed
US-20040067981-A1 Acetylcholinesterase inhibitor; Alzheimer's diseases, Hubtington disease, antidepressants SANKYO COMPANY, LIMITED (JP) 2004-04-08 — — US disclosed
EP-1362844-A1 BENZYLAMINE ANALOGUE Sankyo Company, Limited (JP) 2003-11-19 — — EP disclosed
EP-1319666-A1 Novel antibacterial compounds Sankyo Company, Limited (JP) 2003-06-18 — — EP disclosed
EP-1319406-A1 Novel antibacterial compounds Sankyo Company, Limited (JP) 2003-06-18 — — EP disclosed
US-20030092754-A1 External preparation for skin diseases containing nitroimidazole SHOEI CO., LTD. (JP) 2003-05-15 — — US disclosed
US-20030069204-A1 Strain of streptomyces SANKYO COMPANY LIMITED (JP) 2003-04-10 — — US disclosed
US-6472384-B1 Antimicrobial compounds SANKYO COMPANY, LIMITED (JP) 2002-10-29 — — US disclosed
EP-1206937-A1 NITROIMIDAZOLE EXTERNAL PREPARATIONS FOR DERMATOSIS SHOEI CO., LTD. (JP) 2002-05-22 — — EP disclosed
EP-1095947-A1 NOVEL ANTIBACTERIAL COMPOUNDS Sankyo Company Limited (JP) 2001-05-02 — — EP 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 (7 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-20090281054-A1 COMPOSITIONS AND METHODS COMPRISING CAPURAMYCIN ANALOGUES TTPA, PHOSPHO1, CAPG NOS3 3795/4885NOS1 3615/4885NOS2 3706/4885
US-20030069204-A1 Strain of streptomyces O60361, CYP8B1, MRPS34 NOS3 3031/4885NOS1 3602/4885NOS2 3837/4885
US-20040067981-A1 Acetylcholinesterase inhibitor; Alzheimer's diseases, Hubtington disease, antidepressants ACHE, BACE1, CHRNA6 NOS3 803/4885NOS1 324/4885NOS2 1168/4885
US-20030092754-A1 External preparation for skin diseases containing nitroimidazole IL4I1, NSD1, CUTA NOS3 158/4885NOS1 57/4885NOS2 77/4885
US-20210101878-A1 Cannabinergic Compounds And Uses Thereof CNR2, CNR1, GPR18 NOS3 1588/4885NOS1 1819/4885NOS2 1618/4885
US-20090149444-A1 Benzylamine analogues HTR4, DRD4, SLC6A4 NOS3 855/4885NOS1 967/4885NOS2 1449/4885
US-20210032222-A1 FIVE-MEMBERED RING-SUBSTITUTED PYRIDAZINOL COMPOUNDS AND DERIVATIVES, PREPARATION METHODS, HERBICIDAL COMPOSITIONS AND APPLICATIONS THEREOF CBR3, CBR1, CYP8B1 NOS3 575/4885NOS1 582/4885NOS2 685/4885

“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.