SCHEMBL6516157

SCHEMBL6516157

CCc1cc(C(C)=O)ccc1-c1cscn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.43
KDM4A O75164 1/20 0.41
KDM4B O94953 1/20 0.41
KDM5C P41229 1/20 0.41
KDM5B Q9UGL1 1/20 0.41
CREBBP Q92793 2/20 0.40
CHEK2 O96017 1/20 0.40
PKM P14618 1/20 0.40
ALDH1A1 P00352 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
NPC1 O15118 2/20 0.39
MAPT P10636 2/20 0.39
RAB9A P51151 2/20 0.39
KDM4E B2RXH2 2/20 0.38
POLB P06746 1/20 0.38
KMT2A Q03164 2/20 0.38
HTT P42858 2/20 0.38
MEN1 O00255 1/20 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
SCHEMBL6313985 0.82 KDM4A (0.43) KDM4AKDM4BKDM5CKDM5BCREBBP
SCHEMBL27599990 0.81 CHEK2 (0.46) ADORA2AKDM4AKDM4BKDM5CKDM5B
SCHEMBL6313842 0.81 SYK (0.43) KDM4AKDM4BKDM5CKDM5BCREBBP
SCHEMBL6513353 0.81 KDM4A (0.42) KDM4AKDM4BKDM5CKDM5BCREBBP
SCHEMBL6514062 0.80 PLOD2 (0.42) ADORA2AKDM4AKDM4BKDM5CKDM5B
SCHEMBL6514610 0.79 ADORA2A (0.43) ADORA2AKDM4AKDM4BKDM5CKDM5B
SCHEMBL6513294 0.79 ECE1 (0.45) KDM4AKDM4BKDM5CKDM5BCREBBP
SCHEMBL6512655 0.73 CHEK2 (0.49) KDM4AKDM4BKDM5CKDM5BCREBBP
SCHEMBL28166233 0.73 IDO1 (0.43) ADORA2AALDH1A1SMN1; SMN2LMNAGAA
SCHEMBL7855714 0.73 KAT6A (0.54) KDM4AKDM4BKDM5CKDM5BCREBBP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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

For each of this compound's patents that has machine-readable text (3 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 ADORA2A 945/4885KDM4A 1875/4885KDM4B 2068/4885
US-20020045654-A1 Sulfonylbenzene compounds as anti-inflammatory/analgesic agents CNR1, PTGER1, PTGS1 ADORA2A 1095/4885KDM4A 1609/4885KDM4B 1699/4885
US-20030225064-A1 Sulfonylbenzene compounds as anti-inflammatory/analgesic agents CNR1, PTGS1, PTGER1 ADORA2A 945/4885KDM4A 1875/4885KDM4B 2068/4885

“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.