SCHEMBL4554082

SCHEMBL4554082

CCN(c1ccccc1)S(C)(=O)=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.56
ESR1 P03372 4/20 0.56
MAPK1 P28482 3/20 0.56
KMT2A Q03164 2/20 0.56
HSD17B10 Q99714 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.49
ALDH1A1 P00352 2/20 0.49
NR3C2 P08235 1/20 0.47
LMNA P02545 2/20 0.46
ALPL P05186 1/20 0.46
ALPI P09923 1/20 0.46
MAPT P10636 1/20 0.46
ALPG P10696 1/20 0.46
NSD2 O96028 1/20 0.46
POLB P06746 1/20 0.46
APEX1 P27695 1/20 0.46
RECQL P46063 1/20 0.46
ESR2 Q92731 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46

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 SCHEMBL6640412 0.98 TSHR (0.54) TSHRESR1MAPK1KMT2AHSD17B10
SCHEMBL17333618 0.83 ESR1 (0.58) TSHRESR1MAPK1KMT2AHSD17B10
SCHEMBL11553294 0.83 ESR1 (0.56) TSHRESR1MAPK1KMT2AHSD17B10
SCHEMBL17333643 0.83 ESR1 (0.56) TSHRESR1MAPK1KMT2AHSD17B10
SCHEMBL27754450 0.82 SMN1; SMN2 (0.47) TSHRESR1MAPK1KMT2ASMN1; SMN2
SCHEMBL3376825 0.81 ESR1 (0.54) TSHRESR1MAPK1KMT2AHSD17B10
SCHEMBL12407129 0.81 KEAP1 (0.50) ESR1KMT2ASMN1; SMN2ALDH1A1MAPT
SCHEMBL6017430 0.81 ESR1 (0.59) TSHRESR1MAPK1KMT2AHSD17B10
SCHEMBL9356909 0.81 ESR1 (0.54) TSHRESR1MAPK1KMT2AHSD17B10
SCHEMBL5892163 0.81 ESR1 (0.59) TSHRESR1MAPK1KMT2AHSD17B10

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5776983-A ANTIDIABETIC AGENTS, OBESITY, GASTROINTESTINAL DISORDERS BRISTOL-MYERS SQUIBB COMPANY (US) 1998-07-07 US claimed
WO-2023219007-A1 THERMOSETTING RESIN COMPOSITION, MOLDED ARTICLE, MOLDING MATERIAL FOR FIBER-REINFORCED COMPOSITE MATERIAL, AND FIBER-REINFORCED COMPOSITE MATERIAL 東レ株式会社 2023-11-16 WO disclosed
US-10439252-B2 Electrolyte solution for electrochemical device, and electrochemical device FUJIFILM WAKO PURE CHEMICAL CORPORATION (JP) 2019-10-08 US disclosed
US-9359329-B2 Derivatives of 2-pyridin-2-yl-pyrazol-3(2H)-one, preparation and therapeutic use thereof SANOFI (FR) 2016-06-07 US disclosed
US-9359329-B2 Derivatives of 2-pyridin-2-yl-pyrazol-3(2H)-one, preparation and therapeutic use thereof SANOFI (FR) 2016-06-07 US disclosed
US-20160137627-A9 DERIVATIVES OF 2-PYRIDIN-2-YL-PYRAZOL-3(2H)-ONE, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI (FR) 2016-05-19 US disclosed
US-20160137627-A9 DERIVATIVES OF 2-PYRIDIN-2-YL-PYRAZOL-3(2H)-ONE, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI (FR) 2016-05-19 US disclosed
US-20150364792-A1 ELECTROLYTE SOLUTION FOR ELECTROCHEMICAL DEVICE, AND ELECTROCHEMICAL DEVICE WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2015-12-17 US disclosed
US-9206125-B2 Use of compound binding to mSin3B that specifically binds to neuron restrictive silencer factor (NRSF) PUBLIC UNIVERSITY CORPORATION YOKOHAMA CITY UNIVERSITY (JP) 2015-12-08 US disclosed
US-20140194470-A1 DERIVATIVES OF 2-PYRIDIN-2-YL-PYRAZOL-3(2H)-ONE, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI (FR) 2014-07-10 US disclosed
US-20140194470-A1 DERIVATIVES OF 2-PYRIDIN-2-YL-PYRAZOL-3(2H)-ONE, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI (FR) 2014-07-10 US disclosed
US-20120174324-A1 DYES FOR POLYMER COLORATION, THEIR PREPARATION AND THEIR USE DYSTAR COLOURS DEUTSCHLAND GMBH (DE) 2012-07-12 US disclosed
US-20110301148-A1 DERIVATIVES OF 2-PYRIDIN-2-YL-PYRAZOL-3(2H)-ONE, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI (FR) 2011-12-08 US disclosed
US-20110301148-A1 DERIVATIVES OF 2-PYRIDIN-2-YL-PYRAZOL-3(2H)-ONE, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI (FR) 2011-12-08 US disclosed
EP-2124913-A1 1-AMINOMETHYL- L- PHENYL- CYCLOHEXANE DERIVATIVES AS DDP-IV INHIBITORS Novartis AG (CH) 2009-12-02 EP disclosed
CN-101386590-A Pyrrolidone containing hydroxymethyl and carboxyl, preparation method and medicament composition and use thereof INST MATERIA MEDICA CAMS (CN) 2009-03-18 CN disclosed
WO-2008077597-A1 1-AMINOMETHYL- L- PHENYL- CYCLOHEXANE DERIVATIVES AS DDP-IV INHIBITORS NOVARTIS AG (CH) 2008-07-03 WO disclosed
US-20070088142-A1 PERFLUOROVINYL ETHER MONOMER HAVING A SULFONAMIDO GROUP IKEDA MASANORI 2007-04-19 US disclosed
EP-0812857-A1 Irreversible HIV protease inhibitors, compositions containing same and process for the preparation thereof LG Chemical Limited (KR) 1997-12-17 EP disclosed
US-5679687-A Irreversible HIV protease inhibitors, compositions containing same and process for the preparation thereof LG CHEMICAL LIMITED (KR) 1997-10-21 US 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-20160137627-A9 DERIVATIVES OF 2-PYRIDIN-2-YL-PYRAZOL-3(2H)-ONE, PREPARATION AND THERAPEUTIC USE THEREOF NR3C2, NR3C1, NR5A2 TSHR 61/4885ESR1 649/4885MAPK1 2856/4885
US-20140194470-A1 DERIVATIVES OF 2-PYRIDIN-2-YL-PYRAZOL-3(2H)-ONE, PREPARATION AND THERAPEUTIC USE THEREOF NR3C2, NR3C1, NR5A2 TSHR 61/4885ESR1 649/4885MAPK1 2856/4885
US-20110301148-A1 DERIVATIVES OF 2-PYRIDIN-2-YL-PYRAZOL-3(2H)-ONE, PREPARATION AND THERAPEUTIC USE THEREOF NR3C2, NR3C1, NR5A2 TSHR 61/4885ESR1 649/4885MAPK1 2856/4885
US-20120174324-A1 DYES FOR POLYMER COLORATION, THEIR PREPARATION AND THEIR USE IK, H1-0, H1-5 TSHR 2903/4885ESR1 3348/4885MAPK1 1356/4885

“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.