SCHEMBL305238

SCHEMBL305238

Cc1ccccc1S([NH])(=O)=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.43
ACHE P22303 1/20 0.43
RAPGEF4 Q8WZA2 1/20 0.42
KAT6A Q92794 1/20 0.41
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
TP53 P04637 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
HSD11B1 P28845 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
EDNRA P25101 1/20 0.40
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
MEN1 O00255 1/20 0.39
ESR1 P03372 1/20 0.39
GAA P10253 1/20 0.39
KMT2A Q03164 1/20 0.39
ESR2 Q92731 1/20 0.39
CTSG P08311 1/20 0.39

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
SCHEMBL15023628 0.85 TSHR (0.43) TSHRACHERAPGEF4KAT6AALDH1A1
Potassium Ion SCHEMBL5338570 0.83 TSHR (0.41) TSHRACHERAPGEF4KAT6AALDH1A1
SCHEMBL5157326 0.83 MAPT (0.41) TSHRACHERAPGEF4KAT6AALDH1A1
SCHEMBL6050310 0.81 KMT2A (0.45) TSHRACHEALDH1A1L3MBTL1TDP1
SCHEMBL29468592 0.79 ALDH1A1 (0.55) TSHRACHERAPGEF4ALDH1A1KDM4E
SCHEMBL4533183 0.79 TSHR (0.47) TSHRACHERAPGEF4KAT6AALDH1A1
SCHEMBL475089 0.79 ALDH1A1 (0.55) TSHRACHERAPGEF4ALDH1A1KDM4E
Water SCHEMBL3917281 0.78 MYC (0.52) TSHRACHERAPGEF4KAT6AALDH1A1
Water SCHEMBL8126703 0.78 MYC (0.52) TSHRACHERAPGEF4KAT6AALDH1A1
Water SCHEMBL1739275 0.78 MYC (0.52) TSHRACHERAPGEF4KAT6AALDH1A1

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 1527 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8859777-B2 4-fluoro-4-arylpiperdin-1-yl derivatives as mu opioid function moderators KINENTIA BIOSCIENCES LLC (US) 2014-10-14 US claimed
US-8765780-B2 Alicyclic carboxylic acid derivatives of benzomorphans and related scaffolds, medicaments containing such compounds and their use BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-07-01 US claimed
US-20130045165-A1 4-FLUORO-4-ARYLPIPERDIN-1-YL DERIVATIVES AS MU OPIOID FUNCTION MODERATORS KINENTIA BIOSCIENCES, LLC (US) 2013-02-21 US claimed
WO-2011137331-A2 4-FLUORO-4-ARYLPIPERDIN-1-YL DERIVATIVES AS MU OPIOID FUNCTION MODERATORS KINENTIA BIOSCIENCES LLC (US) 2011-11-03 WO claimed
US-20080200454-A1 CARBON-LINKED TETRAHYDRO-PYRAZOLO-PYRIDINE MODULATORS OF CATHEPSIN S SUNESIS PHARMACEUTICALS, INC. 2008-08-21 US claimed
WO-2008100618-A2 CARBON-LINKED TETRAHYDRO-PYRAZOLO-PYRIDINE MODULATORS OF CATHEPSIN S SUNESIS PHARMACEUTICALS, INC. (US) 2008-08-21 WO claimed
EP-0938486-B1 SUBSTITUTED PYRROLOPYRIMIDINES AND PROCESSES FOR THEIR PREPARATION NOVARTIS AG (CH) 2008-01-16 EP claimed
US-7179832-B2 Glycogen synthase kinase 3β inhibitor, composition and process for the preparation thereof CRYSTALGENOMICS, INC. (KR) 2007-02-20 US claimed
EP-0774461-B1 Excitatory amino acid derivatives LILLY CO ELI (US) 2006-03-08 EP claimed
EP-1311501-B1 ANTITHROMBOTIC AGENTS LILLY CO ELI (US) 2005-11-02 EP claimed
US-4670421-A ANTICHOLESTEROL AGENTS AMERICAN CYANAMID COMPANY (US) 1987-06-02 US claimed
EP-0062902-B1 2,3,4-TRINOR-M-INTER-PHENYLENE-PROSTAGLANDIN DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CHINOIN Gyogyszer és Vegyészeti Termékek Gyára RT. (HU) 1986-01-15 EP claimed
US-4241056-A ANTIBIOTICS BOEHRINGER INGELHEIM GMBH (DE) 1980-12-23 US claimed
US-4122089-A Aminothiofluoran compounds, process for the production thereof, and recording elements containing the same SANKIO CHEMICAL CO., LTD. (JP) 1978-10-24 US claimed
US-4105665-A MONOMETHINE DYESTUFFS BAYER AKTIENGESELLSCHAFT (DE) 1978-08-08 US claimed
US-4081446-A DEHALOGENATION, AMMONIATION HOECHST AKTIENGESELLSCHAFT (DT) 1978-03-28 US claimed
US-4036824-A Disazo dyestuffs containing A-O-alkylene-O-SO3 H group BAYER AKTIENGESELLSCHAFT (DT) 1977-07-19 US claimed
US-4018796-A FIBERS BAYER AKTIENGESELLSCHAFT (DT) 1977-04-19 US claimed
US-3980673-A INSECTICIDES, ACARICIDES BAYER AKTIENGESELLSCHAFT (DT) 1976-09-14 US claimed
US-3966703-A Asymmetrical frisazo dyestuffs derived from diazotized 2,7-diamino-carbazole BAYER AKTIENGESELLSCHAFT (DT) 1976-06-29 US claimed

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

For each of this compound's patents that has machine-readable text (2 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-20080200454-A1 CARBON-LINKED TETRAHYDRO-PYRAZOLO-PYRIDINE MODULATORS OF CATHEPSIN S CTSS, CTSK, CTSZ TSHR 3648/4885ACHE 1547/4885RAPGEF4 1618/4885
US-20130045165-A1 4-FLUORO-4-ARYLPIPERDIN-1-YL DERIVATIVES AS MU OPIOID FUNCTION MODERATORS OPRD1, OPRK1, OPRM1 TSHR 282/4885ACHE 644/4885RAPGEF4 2732/4885

“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.