SCHEMBL6513035

SCHEMBL6513035

CSc1ccc(C/C(=N/O)c2ccc(Br)cc2)cc1F

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PTPN7 P35236 1/20 0.33
DUSP3 P51452 1/20 0.33
GSK3B P49841 1/20 0.33
HTT P42858 1/20 0.33
EGFR P00533 2/20 0.32
AR P10275 2/20 0.32
MGLL Q99685 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.31
XDH P47989 1/20 0.30
LMNA P02545 1/20 0.30
TP53 P04637 1/20 0.30

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
SCHEMBL6513040 1.00 KDM4E (0.41) KDM4ESMN1; SMN2PTPN7DUSP3GSK3B
SCHEMBL6511772 0.81 HDAC3 (0.41) SMN1; SMN2GSK3BHTTARL3MBTL1
SCHEMBL6514237 0.72 NPC1 (0.36) KDM4EHTTARL3MBTL1LMNA
SCHEMBL6736753 0.70 MGLL (0.40) KDM4ESMN1; SMN2HTTMGLLXDH
SCHEMBL6736752 0.70 MGLL (0.40) KDM4ESMN1; SMN2HTTMGLLXDH
SCHEMBL2651814 0.69 HPGD (0.46) KDM4EHTTLMNA
SCHEMBL2779020 0.69 MAOA (0.32) LMNA
SCHEMBL1581643 0.69 DGAT1 (0.39) SMN1; SMN2ARLMNATP53
SCHEMBL29504598 0.69 DGAT1 (0.39) SMN1; SMN2ARLMNATP53
SCHEMBL4587535 0.69 SMN1; SMN2 (0.50) KDM4ESMN1; SMN2DUSP3MGLLL3MBTL1

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 KDM4E 2706/4885SMN1; SMN2 3006/4885PTPN7 2797/4885
US-20020045654-A1 Sulfonylbenzene compounds as anti-inflammatory/analgesic agents CNR1, PTGER1, PTGS1 KDM4E 2460/4885SMN1; SMN2 3119/4885PTPN7 2804/4885
US-20030225064-A1 Sulfonylbenzene compounds as anti-inflammatory/analgesic agents CNR1, PTGS1, PTGER1 KDM4E 2706/4885SMN1; SMN2 3006/4885PTPN7 2797/4885

“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.