SCHEMBL6513893

SCHEMBL6513893

Cc1cc(C(=O)CC(=O)C(F)(F)F)ccc1-c1cocn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLOD2 O00469 3/20 0.43
PLOD3 O60568 2/20 0.43
PLOD1 Q02809 2/20 0.43
IMPDH2 P12268 1/20 0.39
IMPDH1 P20839 1/20 0.39
TRPV1 Q8NER1 2/20 0.34
CASP6 P55212 1/20 0.33
PIM1 P11309 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
KDM1A O60341 1/20 0.32
HDAC1 Q13547 1/20 0.32
F2RL1 P55085 1/20 0.32
GAA P10253 2/20 0.32
SCN9A Q15858 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL6512481 0.85 PLOD2 (0.43) PLOD2PLOD3PLOD1IMPDH2IMPDH1
SCHEMBL6512610 0.85 IMPDH2 (0.56) PLOD2PLOD3PLOD1IMPDH2IMPDH1
SCHEMBL6313906 0.80 PLOD2 (0.43) PLOD2PLOD3PLOD1TRPV1MEN1
SCHEMBL6513323 0.79 PLOD2 (0.54) PLOD2PLOD3PLOD1TRPV1SCN9A
SCHEMBL4587759 0.75 PLOD2 (0.59) PLOD2PLOD3PLOD1L3MBTL1MEN1
SCHEMBL6516215 0.74 PLOD2 (0.44) PLOD2PLOD3PLOD1IMPDH2IMPDH1
SCHEMBL1349593 0.72 PLOD2 (0.54) PLOD2PLOD3PLOD1MEN1KMT2A
SCHEMBL1348683 0.72 PLOD2 (0.54) PLOD2PLOD3PLOD1MEN1KMT2A
SCHEMBL6169355 0.70 PLOD2 (0.51) PLOD2PLOD3PLOD1MEN1KMT2A
SCHEMBL6520414 0.70 ESR2 (0.58) IMPDH2IMPDH1MEN1KMT2AMAPT

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 9 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-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 (2 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-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.