SCHEMBL6512405

SCHEMBL6512405

Oc1ccc(-c2cscn2)cc1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 8/20 0.46
TSHR P16473 2/20 0.44
HSD17B10 Q99714 2/20 0.44
ESR1 P03372 5/20 0.42
RIPK1 Q13546 1/20 0.39
HSD17B1 P14061 2/20 0.39
HSD17B2 P37059 2/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
POLB P06746 2/20 0.39
GAA P10253 2/20 0.39
MAPT P10636 2/20 0.39
HPGD P15428 2/20 0.39
RECQL P46063 2/20 0.39
CHEK2 O96017 1/20 0.39
ADORA2A P29274 2/20 0.38
HDAC2 Q92769 1/20 0.38
ADORA1 P30542 1/20 0.38
KDM4A O75164 1/20 0.37
KDM4B O94953 1/20 0.37

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
SCHEMBL18648678 0.85 POLB (0.51) ESR2TSHRHSD17B10KDM4EALDH1A1
SCHEMBL15943367 0.84 AHR (0.48) KDM4EALDH1A1MEN1LMNAKMT2A
SCHEMBL1772805 0.81 METAP2 (0.38) TSHRKDM4EALDH1A1MAPTCHEK2
SCHEMBL28481719 0.79 ESR2 (0.46) ESR2ESR1HSD17B1HSD17B2KDM4E
SCHEMBL6516626 0.79 ESR2 (0.44) ESR2HSD17B10ESR1RIPK1HSD17B1
SCHEMBL4524262 0.79 KMO (0.47) KDM4ECHEK2ADORA2AADORA1MEN1
SCHEMBL6516629 0.76 P2RX7 (0.41) KDM4EHPGDCHEK2KDM4AKDM4B
SCHEMBL14754382 0.76 KMO (0.47) KDM4ECHEK2KDM4AKDM4BKDM5C
SCHEMBL22382358 0.76 ALOX15 (0.53) ESR2TSHRHSD17B10KDM4EALDH1A1
SCHEMBL9842279 0.76 ALDH1A1 (0.44) ESR2TSHRHSD17B10ESR1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130059869-A1 METHODS AND COMPOSITIONS FOR TREATING DISORDERS HYDRA BIOSCIENCES, INC. 2013-03-07 US disclosed
US-6949536-B2 Sulfonylbenzene compounds as anti-inflammatory/analgesic agents PFIZER, INC. (US) 2005-09-27 US disclosed
US-20040157824-A1 Sulfonylbenzene compounds as anti-inflammatory/analgesic agents PFIZER INC. 2004-08-12 US disclosed
EP-1086097-B1 SULFONYLBENZENE COMPOUNDS AS ANTI-INFLAMMATORY/ANALGESIC AGENTS PFIZER (US) 2004-05-19 EP disclosed
US-6727238-B2 CYCLOOXYGENASE INHIBITORS PFIZER INC. 2004-04-27 US disclosed
US-20030225064-A1 Sulfonylbenzene compounds as anti-inflammatory/analgesic agents ANDO KAZUO (JP) 2003-12-04 US disclosed
US-6608095-B2 Sulfonylbenzene and sulfonamidobenzene compounds which inhibit COX-2; treatment of a medical condition in which prostaglandins are implicated as pathogens PFIZER INC. 2003-08-19 US disclosed
US-20020045654-A1 Sulfonylbenzene compounds as anti-inflammatory/analgesic agents ANDO KAZUO (JP) 2002-04-18 US disclosed
US-6294558-B1 ANTIINFLAMMATORY AGENTS AND PROSTAGLANTINS PFIZER INC. 2001-09-25 US disclosed
EP-1086097-A1 SULFONYLBENZENE COMPOUNDS AS ANTI-INFLAMMATORY/ANALGESIC AGENTS PFIZER INC. (US) 2001-03-28 EP disclosed
WO-1999064415-A1 SULFONYLBENZENE COMPOUNDS AS ANTI-INFLAMMATORY/ANALGESIC AGENTS PFIZER PHARMACEUTICALS INC. (JP) 1999-12-16 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 (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-20040157824-A1 Sulfonylbenzene compounds as anti-inflammatory/analgesic agents CNR1, PTGS1, PTGER1 ESR2 1120/4885TSHR 3537/4885HSD17B10 978/4885
US-20020045654-A1 Sulfonylbenzene compounds as anti-inflammatory/analgesic agents CNR1, PTGER1, PTGS1 ESR2 981/4885TSHR 3282/4885HSD17B10 1054/4885
US-20030225064-A1 Sulfonylbenzene compounds as anti-inflammatory/analgesic agents CNR1, PTGS1, PTGER1 ESR2 1120/4885TSHR 3537/4885HSD17B10 978/4885
US-20130059869-A1 METHODS AND COMPOSITIONS FOR TREATING DISORDERS TRPA1, TRPV1, TRPV3 ESR2 1219/4885TSHR 3225/4885HSD17B10 1209/4885

“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.