SCHEMBL1127279

SCHEMBL1127279

NCCCS(=O)(=O)CCCN

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.58
LMNA P02545 3/20 0.55
TSHR P16473 2/20 0.55
ALDH1A1 P00352 2/20 0.55
PMP22 Q01453 2/20 0.55
GMNN O75496 1/20 0.55
TP53 P04637 1/20 0.55
MAPK1 P28482 1/20 0.55
THPO P40225 1/20 0.55
HBB P68871 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
BLM P54132 3/20 0.40
NFKB1 P19838 1/20 0.40
SLC6A6 P31641 1/20 0.40
CYP2C19 P33261 1/20 0.40
CA2 P00918 3/20 0.38
CA12 O43570 2/20 0.38
CA1 P00915 2/20 0.38
CA3 P07451 2/20 0.38
CA4 P22748 2/20 0.38

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
Hydrochloric Acid SCHEMBL825780 0.97 APP (0.55) APPLMNATSHRALDH1A1PMP22
SCHEMBL11883063 0.87 DNM1 (0.50) APPLMNATSHRALDH1A1PMP22
SCHEMBL17495626 0.87 DNM1 (0.50) APPLMNATSHRALDH1A1PMP22
SCHEMBL8413661 0.86 APP (0.52) APPLMNATSHRALDH1A1PMP22
SCHEMBL6941022 0.86 APP (0.46) APPLMNATSHRALDH1A1PMP22
SCHEMBL9339421 0.86 APP (0.46) APPLMNATSHRALDH1A1PMP22
SCHEMBL6044734 0.84
Hydrochloric Acid SCHEMBL9326378 0.84 APP (0.50) APPLMNATSHRALDH1A1PMP22
Hydrochloric Acid SCHEMBL9175237 0.84 APP (0.44) APPLMNATSHRALDH1A1PMP22
Hydrochloric Acid SCHEMBL5618083 0.82 APP (0.48) APPLMNATSHRALDH1A1PMP22

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113330020-B 2-fluoro bile acids for the treatment of neurodegenerative diseases NZP英国有限公司 2024-04-05 CN claimed
CN-103319382-B The preparation method of 2-(amino) ethyl-methyl sulfone salt and intermediate thereof SHANGHAI INSTITUTE OF PHARMACEUTICAL INDUSTRY (CN) 2016-03-16 CN claimed
CN-101987828-B 2-(N,N-dibenzylamino) methyl sulfone, and salt and application thereof SHANGHAI KNOWA PHARMACEUTICAL TECHNOLOGY CO LTD 2014-11-05 CN claimed
US-20140294704-A1 SOLVENT AND METHOD FOR REMOVAL OF AN ACID GAS FROM A FLUID STREAM THE UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2014-10-02 US claimed
CN-103319382-A Preparation methods of 2-(amino)ethyl methyl sulfone salt and intermediate of 2-(amino)ethyl methyl sulfone salts SHANGHAI INST PHARM INDUSTRY 2013-09-25 CN claimed
CN-101987829-A Novel 2-(amino) ethyl methyl sulfone salt and preparation SHANGHAI KNOWA PHARMACEUTICAL TECHNOLOGY CO LTD 2011-03-23 CN claimed
CN-101987828-A 2-(N,N-dibenzylamino) methyl sulfone, and salt and application thereof SHANGHAI KNOWA PHARMACEUTICAL TECHNOLOGY CO LTD 2011-03-23 CN claimed
US-20240327411-A1 SIRT6 ACTIVATORS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2024-10-03 US disclosed
CN-113330020-B 2-fluoro bile acids for the treatment of neurodegenerative diseases NZP英国有限公司 2024-04-05 CN disclosed
EP-3388433-B1 PHTHALAZINE DERIVATIVES, AND PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE THEREOF SHANGHAI SIMR BIOTECH CO LTD (CN) 2023-08-30 EP disclosed
US-11220503-B2 Phthalazine derivatives, preparation method, pharmaceutical composition and usage thereof SHANGHAI SIMR BIOTECH CO., LTD. (CN) 2022-01-11 US disclosed
CN-107108634-B Imidazopyridazine derivatives as PI3K beta inhibitors 詹森药业有限公司 2020-09-15 CN disclosed
US-20200165253-A1 Phthalazine Derivatives, Preparation Method, Pharmaceutical Composition and Usage Thereof SHANGHAI SIMRD BIOTECHNOLOGY. CO., LTD. (CN) 2020-05-28 US disclosed
US-20050009817-A1 Substituted heteroaryls INSTITUTES FOR PHARMACEUTICAL DISCOVERY, L.L.C. 2005-01-13 US disclosed
US-20050009845-A1 Thienopyrimidine compounds as protein tyrosine kinase inhibitors SMITHKLINE BEECHAM CORPORATION 2005-01-13 US disclosed
WO-2004099159-A1 SUBSTITUTED HETEROARYLS AS INHIBITORS OF PROTEIN TYROSINE PHOSPHATASES THE INSTITUTES FOR PHARMACEUTICAL DISCOVERY, LLC (US) 2004-11-18 WO disclosed
EP-1463507-A1 THIENOPYRIMIDINE COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS SmithKline Beecham Corporation (US) 2004-10-06 EP disclosed
WO-2004063348-A2 VESICANT TREATMENT WITH PHENYL-THIOPHENE TYPE VITAMIN D RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2004-07-29 WO disclosed
WO-2003101978-A1 PHENYL-THIOPHENE TYPE VITAMIN D RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2003-12-11 WO disclosed
WO-2003053446-A1 THIENOPYRIMIDINE COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2003-07-03 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 (5 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-11220503-B2 Phthalazine derivatives, preparation method, pharmaceutical composition and usage thereof GABRA5, CYP3A5, GABRA1 APP 915/4885LMNA 3499/4885TSHR 389/4885
US-20050009845-A1 Thienopyrimidine compounds as protein tyrosine kinase inhibitors ERBB2, ERBB4, ERBB3 APP 4181/4885LMNA 4738/4885TSHR 943/4885
US-20050009817-A1 Substituted heteroaryls PTPRS, PTPRO, PTPRR APP 1297/4885LMNA 4360/4885TSHR 1562/4885
US-20200165253-A1 Phthalazine Derivatives, Preparation Method, Pharmaceutical Composition and Usage Thereof GABRA5, CYP3A5, GABRA1 APP 915/4885LMNA 3499/4885TSHR 389/4885
US-20240327411-A1 SIRT6 ACTIVATORS SIRT6, SIRT1, SIRT2 APP 966/4885LMNA 3730/4885TSHR 3603/4885

“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.