SCHEMBL6513294

SCHEMBL6513294

COc1cc(C(C)=O)ccc1-c1cscn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ECE1 P42892 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.43
ALDH1A1 P00352 2/20 0.42
CREBBP Q92793 1/20 0.42
LMNA P02545 1/20 0.41
KMT2A Q03164 2/20 0.41
NPC1 O15118 2/20 0.41
MAPT P10636 2/20 0.41
RAB9A P51151 2/20 0.41
KDM4A O75164 1/20 0.40
KDM4B O94953 1/20 0.40
KDM5C P41229 1/20 0.40
KDM5B Q9UGL1 1/20 0.40
FYN P06241 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ADRB2 P07550 1/20 0.40
MEN1 O00255 1/20 0.40
POLB P06746 1/20 0.39
CSNK2A1 P68400 1/20 0.39
ADORA3 P0DMS8 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
SCHEMBL6313985 0.81 KDM4A (0.43) CREBBPNPC1MAPTRAB9AKDM4A
SCHEMBL6513353 0.80 KDM4A (0.42) SMN1; SMN2ALDH1A1CREBBPNPC1MAPT
SCHEMBL6313842 0.80 SYK (0.43) CREBBPNPC1MAPTRAB9AKDM4A
SCHEMBL6514052 0.80 PLOD2 (0.40) ECE1SMN1; SMN2ALDH1A1KMT2ANPC1
SCHEMBL6516157 0.79 ADORA2A (0.43) SMN1; SMN2ALDH1A1CREBBPLMNAKMT2A
SCHEMBL881297 0.78 LMNA (0.59) SMN1; SMN2ALDH1A1LMNAKMT2ANPC1
SCHEMBL6511340 0.78 MAPT (0.41) ECE1SMN1; SMN2ALDH1A1LMNAKMT2A
SCHEMBL14754488 0.78 CYP1A1 (0.59) SMN1; SMN2ALDH1A1KMT2ANPC1MAPT
SCHEMBL27599990 0.77 CHEK2 (0.46) ECE1CREBBPKMT2ANPC1MAPT
SCHEMBL5258094 0.76 ALDH1A1 (0.52) SMN1; SMN2ALDH1A1KMT2AMAPTRAB9A

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 ECE1 1359/4885SMN1; SMN2 3006/4885ALDH1A1 593/4885
US-20020045654-A1 Sulfonylbenzene compounds as anti-inflammatory/analgesic agents CNR1, PTGER1, PTGS1 ECE1 1481/4885SMN1; SMN2 3119/4885ALDH1A1 599/4885
US-20030225064-A1 Sulfonylbenzene compounds as anti-inflammatory/analgesic agents CNR1, PTGS1, PTGER1 ECE1 1359/4885SMN1; SMN2 3006/4885ALDH1A1 593/4885

“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.