SCHEMBL6513076

SCHEMBL6513076

CC(=O)c1ccc(-c2ccco2)c(C)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 1/20 0.44
LMNA P02545 3/20 0.43
RAB9A P51151 3/20 0.43
ALOX12 P18054 2/20 0.43
S100A4 P26447 1/20 0.42
MAPT P10636 6/20 0.42
ALDH1A1 P00352 5/20 0.42
POLB P06746 5/20 0.42
KDM4E B2RXH2 4/20 0.42
HPGD P15428 4/20 0.42
TDP1 Q9NUW8 3/20 0.42
APEX1 P27695 2/20 0.42
USP2 O75604 1/20 0.42
THRB P10828 1/20 0.42
NR4A1 P22736 1/20 0.42
PTPN7 P35236 1/20 0.42
RECQL P46063 1/20 0.42
BLM P54132 1/20 0.42
PTK2B Q14289 1/20 0.42
MAPK1 P28482 1/20 0.42

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
SCHEMBL18519888 0.83 MAPT (0.47) HSD17B1LMNARAB9AS100A4MAPT
SCHEMBL6963436 0.81 PTPN1 (0.49) MAPTALDH1A1POLBKDM4EHPGD
SCHEMBL6970040 0.79 KDM4E (0.42) LMNARAB9AS100A4MAPTALDH1A1
SCHEMBL6959703 0.78 CFTR (0.51) LMNARAB9AMAPTALDH1A1POLB
SCHEMBL6514220 0.77 KDM4E (0.47) LMNARAB9AALOX12MAPTALDH1A1
SCHEMBL6516215 0.77 PLOD2 (0.44) LMNARAB9AALOX12MAPTALDH1A1
SCHEMBL31201127 0.74 PDE10A (0.46) LMNARAB9AALOX12MAPTALDH1A1
SCHEMBL3692629 0.74 MAPT (0.53) HSD17B1MAPTALDH1A1POLBKDM4E
SCHEMBL31201086 0.74 FLT3 (0.48) MAPTPOLBKDM4EAPEX1RECQL
SCHEMBL17777307 0.73 KEAP1 (0.73) LMNAMAPTALDH1A1POLBMAPK1

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 HSD17B1 515/4885LMNA 2530/4885RAB9A 3089/4885
US-20020045654-A1 Sulfonylbenzene compounds as anti-inflammatory/analgesic agents CNR1, PTGER1, PTGS1 HSD17B1 532/4885LMNA 2851/4885RAB9A 2725/4885
US-20030225064-A1 Sulfonylbenzene compounds as anti-inflammatory/analgesic agents CNR1, PTGS1, PTGER1 HSD17B1 515/4885LMNA 2530/4885RAB9A 3089/4885

“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.