SCHEMBL6513070

SCHEMBL6513070

CCOC(CNC(=O)c1ccc(Br)cc1)OCC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.56
HPGD P15428 3/20 0.55
NPC1 O15118 2/20 0.55
RAB9A P51151 1/20 0.55
ALDH1A1 P00352 1/20 0.55
ATM Q13315 1/20 0.53
NPSR1 Q6W5P4 2/20 0.50
KMT2A Q03164 3/20 0.48
OPRM1 P35372 1/20 0.48
OPRD1 P41143 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
OGG1 O15527 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
MEN1 O00255 2/20 0.47
HDAC3 O15379 2/20 0.46
HDAC1 Q13547 2/20 0.46
HDAC2 Q92769 2/20 0.46
EPHX1 P07099 1/20 0.46
POLB P06746 1/20 0.45

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
SCHEMBL17426920 0.86 MAPK1 (0.57) MAPK1HPGDNPC1RAB9AALDH1A1
SCHEMBL17981317 0.86 MAPK1 (0.61) MAPK1HPGDNPC1RAB9AALDH1A1
SCHEMBL17426919 0.84 MAPK1 (0.56) MAPK1HPGDNPC1RAB9AALDH1A1
SCHEMBL16092693 0.84 MAPK1 (0.56) MAPK1HPGDNPC1RAB9AALDH1A1
SCHEMBL6810401 0.84 ATM (0.63) MAPK1HPGDNPC1RAB9AALDH1A1
SCHEMBL1169501 0.84 KMT2A (0.56) HPGDNPC1RAB9AALDH1A1ATM
Bicarbonate SCHEMBL5782303 0.79 KMT2A (0.52) HPGDNPC1RAB9AALDH1A1ATM
Bicarbonate SCHEMBL5782296 0.79 KMT2A (0.52) HPGDNPC1RAB9AALDH1A1ATM
SCHEMBL889069 0.78 MLYCD (0.63) HPGDNPC1RAB9AALDH1A1NPSR1
Bicarbonate SCHEMBL5782293 0.78 KMT2A (0.51) HPGDNPC1RAB9AALDH1A1ATM

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 MAPK1 551/4885HPGD 805/4885NPC1 779/4885
US-20020045654-A1 Sulfonylbenzene compounds as anti-inflammatory/analgesic agents CNR1, PTGER1, PTGS1 MAPK1 561/4885HPGD 924/4885NPC1 869/4885
US-20030225064-A1 Sulfonylbenzene compounds as anti-inflammatory/analgesic agents CNR1, PTGS1, PTGER1 MAPK1 551/4885HPGD 805/4885NPC1 779/4885

“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.