SCHEMBL4138614

SCHEMBL4138614

Cc1ccnc(S(C)(=O)=O)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 0.42
MAPK1 P28482 2/20 0.41
MAPT P10636 3/20 0.40
CYP2C9 P11712 1/20 0.40
PARP1 P09874 1/20 0.38
ALDH1A1 P00352 3/20 0.37
ALOX15 P16050 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
FASN P49327 1/20 0.36
LMNA P02545 1/20 0.36
KMT2A Q03164 2/20 0.36
NPC1 O15118 2/20 0.35
TP53 P04637 2/20 0.35
HTT P42858 2/20 0.35
HSD17B10 Q99714 2/20 0.35
XBP1 P17861 1/20 0.35
TLR9 Q9NR96 1/20 0.35
UHRF1 Q96T88 1/20 0.33
KDM4E B2RXH2 1/20 0.33
JAK2 O60674 1/20 0.33

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
SCHEMBL30637352 1.00 NPSR1 (0.42) NPSR1MAPK1MAPTCYP2C9PARP1
SCHEMBL7402926 0.81 MAPT (0.42) NPSR1MAPK1MAPTCYP2C9ALDH1A1
SCHEMBL27698646 0.81 NPSR1 (0.41) NPSR1MAPK1MAPTCYP2C9ALDH1A1
SCHEMBL3567699 0.80 CCR1 (0.53) NPSR1ALDH1A1KDM4EHPGD
SCHEMBL31527671 0.79 MAPT (0.45) NPSR1MAPK1MAPTCYP2C9ALDH1A1
SCHEMBL10872794 0.79 NPSR1 (0.44) NPSR1MAPK1MAPTCYP2C9ALDH1A1
SCHEMBL1750195 0.78 PARP1 (0.38) NPSR1MAPK1MAPTPARP1ALDH1A1
SCHEMBL758549 0.77 TP53 (0.37) NPSR1MAPK1MAPTPARP1ALDH1A1
SCHEMBL20606050 0.77 LMNA (0.39) NPSR1MAPK1MAPTPARP1ALDH1A1
SCHEMBL22471636 0.77 PARP1 (0.37) NPSR1MAPK1MAPTPARP1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104592129-A Improved method used for preparing ambrisentan QR PHARMACEUTICALS LTD 2015-05-06 CN claimed
WO-2024130342-A1 TRANSIENT RECEPTOR POTENTIAL VANILLOID 6 INHIBITORS UNIQUEST PTY LIMITED (AU) 2024-06-27 WO disclosed
CN-115874202-A Method for producing sulfonyl compounds by electrolytic oxidation of thio compounds 华东理工大学 2023-03-31 CN disclosed
US-20220202780-A1 PHARMACEUTICAL COMPOSITIONS AND COMBINATIONS COMPRISING INHIBITORS OF THE ANDROGEN RECEPTOR AND USES THEREOF ESSA PHARMA INC. (CA) 2022-06-30 US disclosed
EP-3642199-B1 BENZOFURANS AS IRAK4 MODULATORS HOFFMANN LA ROCHE (CH) 2022-04-27 EP disclosed
CN-108137562-B Pyrazolopyrimidine derivative and use thereof 耶路撒冷希伯来大学伊森姆研究发展有限公司 2021-11-30 CN disclosed
US-10960003-B2 Pyrazole pyrimidine derivative and uses thereof BIOTHERYX, INC. (US) 2021-03-30 US disclosed
WO-2020081999-A1 ANDROGEN RECEPTOR MODULATORS AND METHODS FOR THEIR USE ESSA PHARMA, INC. (CA) 2020-04-23 WO disclosed
CN-108137562-A Pyrazolopyrimidine derivative and use thereof 耶路撒冷希伯来大学伊森姆研究发展有限公司 2018-06-08 CN disclosed
CN-105025898-B Histamine H4The yl pyrimidines conditioning agent of benzimidazole 2 of acceptor 詹森药业有限公司 2018-01-23 CN disclosed
WO-2002068409-A1 N-SUBSTITUTED NONARYL-HETEROCYCLIC NMDA/NR2B ANTAGONISTS MERCK & CO., INC. (US) 2002-09-06 WO disclosed
WO-2002040962-A2 METHODS AND REAGENTS TO REDUCE BACKGROUNDS OF HETEROGENEOUS ASSAYS BENCHMARK SCIENCE, INC. (US) 2002-05-23 WO disclosed
US-5439874-A Preemergence, postemergence herbicides BAYER AKTIENGESELLSCHAFT (DE) 1995-08-08 US disclosed
US-5284820-A Herbicidal substituted cycloalkenes BAYER AKTIENGESELLSCHAFT (DE) 1994-02-08 US disclosed
EP-0581132-A2 Substituted Bicyclo[3.1.0]hexanes and their use as herbicide BAYER AG (DE) 1994-02-02 EP disclosed
EP-0532948-A1 Substituted cycloalkenes as herbicides BAYER AG (DE) 1993-03-24 EP disclosed
EP-0273242-A2 2-Pyri(mi)dylthio-aryl ether BAYER AG (DE) 1988-07-06 EP disclosed
EP-0097289-B1 AZO DYESTUFFS BAYER AG (DE) 1986-10-15 EP disclosed
EP-0043411-B1 REACTIVE DISAZO DYESTUFFS, PROCESS FOR THEIR PREPARATION AND THEIR USE IN DYEING AND PRINTING MATERIALS CONTAINING NITROGEN AND/OR HYDROXYLE GROUPS BAYER AG (DE) 1984-07-11 EP disclosed
EP-0071168-A2 Water-soluble disazo compounds and bis-(amino-phenoxy)-ethane compounds with fibre reactive groups as tetrazo compounds, process for the preparation of these compounds and the use of the disazo compounds as dyestuffs HOECHST AKTIENGESELLSCHAFT (DE) 1983-02-09 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 (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-20220202780-A1 PHARMACEUTICAL COMPOSITIONS AND COMBINATIONS COMPRISING INHIBITORS OF THE ANDROGEN RECEPTOR AND USES THEREOF AR, SHBG, NR5A1 NPSR1 707/4885MAPK1 3178/4885MAPT 2957/4885
US-10960003-B2 Pyrazole pyrimidine derivative and uses thereof IRAK1, IRAK2, IRAK3 NPSR1 4090/4885MAPK1 285/4885MAPT 1883/4885

“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.