SCHEMBL6514052

SCHEMBL6514052

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLOD2 O00469 3/20 0.40
PLOD3 O60568 2/20 0.39
PLOD1 Q02809 2/20 0.39
ECE1 P42892 1/20 0.38
NTRK1 P04629 1/20 0.38
NOX1 Q9Y5S8 1/20 0.37
MAPT P10636 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
KDM4E B2RXH2 1/20 0.37
CTNNB1 P35222 2/20 0.36
WNT3A P56704 2/20 0.36
IMPDH2 P12268 1/20 0.36
IMPDH1 P20839 1/20 0.36
ADORA3 P0DMS8 3/20 0.36
ABL1 P00519 1/20 0.36
CSNK2A1 P68400 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL6313906 0.85 PLOD2 (0.43) PLOD2PLOD3PLOD1NTRK1MAPT
SCHEMBL6513953 0.85 PLOD2 (0.44) PLOD2PLOD3PLOD1NTRK1SMN1; SMN2
SCHEMBL6514062 0.84 PLOD2 (0.42) PLOD2PLOD3PLOD1NTRK1MAPT
SCHEMBL6313903 0.84 PLOD2 (0.47) PLOD2PLOD3PLOD1NTRK1KDM4E
SCHEMBL6524808 0.83 PLOD2 (0.43) PLOD2PLOD3PLOD1NTRK1MAPT
SCHEMBL6512610 0.81 IMPDH2 (0.56) PLOD2PLOD3PLOD1MAPTSMN1; SMN2
SCHEMBL6513294 0.80 ECE1 (0.45) ECE1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL6514170 0.77 PLOD2 (0.53) PLOD2PLOD3PLOD1NTRK1
SCHEMBL9145097 0.76 MAPT (0.56) PLOD2PLOD3PLOD1MAPTSMN1; SMN2
SCHEMBL7450201 0.76 PLOD2 (0.41) PLOD2PLOD3PLOD1MAPTSMN1; SMN2

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 PLOD2 4318/4885PLOD3 3526/4885PLOD1 4245/4885
US-20020045654-A1 Sulfonylbenzene compounds as anti-inflammatory/analgesic agents CNR1, PTGER1, PTGS1 PLOD2 4308/4885PLOD3 3490/4885PLOD1 4213/4885
US-20030225064-A1 Sulfonylbenzene compounds as anti-inflammatory/analgesic agents CNR1, PTGS1, PTGER1 PLOD2 4318/4885PLOD3 3526/4885PLOD1 4245/4885

“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.