SCHEMBL6516547

SCHEMBL6516547

Clc1cc(Br)ccc1-c1cscn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.40
METAP2 P50579 1/20 0.38
METAP1 P53582 1/20 0.38
IDO1 P14902 3/20 0.37
KDM4A O75164 1/20 0.35
KDM4B O94953 1/20 0.35
KDM5C P41229 1/20 0.35
KDM5B Q9UGL1 1/20 0.35
F2RL1 P55085 1/20 0.35
BDKRB2 P30411 1/20 0.34
ESR1 P03372 1/20 0.34
ESR2 Q92731 1/20 0.34
TDO2 P48775 2/20 0.34
NPC1 O15118 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
PKM P14618 1/20 0.34
RAB9A P51151 1/20 0.34
HSP90AA1 P07900 2/20 0.33
HSP90AB1 P08238 2/20 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
SCHEMBL9911398 0.84 METAP1 (0.47) METAP2METAP1IDO1BDKRB2NPC1
SCHEMBL31126472 0.81 KDM4A (0.37) METAP2METAP1IDO1KDM4AKDM4B
SCHEMBL4515967 0.76 CYP19A1 (0.47) METAP2METAP1IDO1TDO2NPC1
SCHEMBL6514610 0.75 ADORA2A (0.43) IDO1KDM4AKDM4BKDM5CKDM5B
SCHEMBL6511340 0.75 MAPT (0.41) NPC1ALDH1A1MAPTRAB9AMEN1
SCHEMBL6513353 0.74 KDM4A (0.42) METAP1KDM4AKDM4BKDM5CKDM5B
SCHEMBL7865802 0.74 METAP2 (0.33) METAP2METAP1IDO1KDM4AKDM4B
SCHEMBL14754369 0.74 AHR (0.39) METAP2METAP1IDO1KDM4AKDM4B
SCHEMBL18361943 0.73 S100A4 (0.46) DHODHESR1ESR2ALDH1A1MAPK1
SCHEMBL6512842 0.69 RAB9A (0.47) METAP2METAP1IDO1KDM4AKDM4B

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 10 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
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 (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 DHODH 3719/4885METAP2 3527/4885METAP1 2020/4885
US-20020045654-A1 Sulfonylbenzene compounds as anti-inflammatory/analgesic agents CNR1, PTGER1, PTGS1 DHODH 3527/4885METAP2 3791/4885METAP1 2306/4885
US-20030225064-A1 Sulfonylbenzene compounds as anti-inflammatory/analgesic agents CNR1, PTGS1, PTGER1 DHODH 3719/4885METAP2 3527/4885METAP1 2020/4885

“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.