SCHEMBL6166658

SCHEMBL6166658

COc1ccc(C(=O)CC(=O)C(F)(F)F)cc1Cl

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLOD2 O00469 2/20 0.50
TAS1R3 Q7RTX0 7/20 0.49
TAS1R1 Q7RTX1 7/20 0.49
MAPT P10636 2/20 0.46
POLB P06746 1/20 0.46
PLOD3 O60568 1/20 0.45
PLOD1 Q02809 1/20 0.45
NPC1 O15118 4/20 0.45
RAB9A P51151 4/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
ALDH1A1 P00352 2/20 0.45
HTT P42858 1/20 0.45
KCNH2 Q12809 1/20 0.45
TP53 P04637 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
ALOX15 P16050 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
SCHEMBL9145097 0.87 MAPT (0.56) PLOD2MAPTPLOD3PLOD1SMN1; SMN2
SCHEMBL4029594 0.84 HTT (0.58) PLOD2TAS1R3TAS1R1MAPTPLOD3
SCHEMBL6169355 0.84 PLOD2 (0.51) PLOD2TAS1R3TAS1R1MAPTPLOD3
SCHEMBL6313877 0.82 PLOD2 (0.43) PLOD2TAS1R3TAS1R1MAPTPOLB
SCHEMBL1349410 0.82 PLOD2 (0.59) PLOD2MAPTPOLBPLOD3PLOD1
SCHEMBL29822688 0.79 MAPT (0.64) TAS1R3TAS1R1MAPTPOLBNPC1
SCHEMBL28616902 0.79 NPC1 (0.59) TAS1R3TAS1R1MAPTPOLBNPC1
SCHEMBL29822736 0.79 NPC1 (0.59) TAS1R3TAS1R1MAPTPOLBNPC1
SCHEMBL28623658 0.79 MAPT (0.64) TAS1R3TAS1R1MAPTPOLBNPC1
SCHEMBL1924889 0.79 PLOD2 (0.60) PLOD2TAS1R3TAS1R1MAPTPLOD3

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1233959-B1 HETEROCYCLO-ALKYLSULFONYL PYRAZOLE DERIVATIVES AS ANTI-INFLAMMATORY/ANALGESIC AGENTS PFIZER PROD INC (US) 2005-03-16 EP disclosed
US-20030236258-A1 Heterocyclo-alkylsulfonyl pyrazole derivatives as anti-inflammatory/analgesic agents PFIZER INC. 2003-12-25 US disclosed
US-6531492-B1 Heterocyclo-alkylsulfonyl pyrazole derivatives as anti-inflammatory/analgesic agents PFIZER INC. 2003-03-11 US disclosed
EP-1233959-A1 HETEROCYCLO-ALKYLSULFONYL PYRAZOLE DERIVATIVES AS ANTI-INFLAMMATORY/ANALGESIC AGENTS Pfizer Products Inc. (US) 2002-08-28 EP disclosed
WO-2001040216-A1 HETEROCYCLO-ALKYLSULFONYL PYRAZOLE DERIVATIVES AS ANTI-INFLAMMATORY/ANALGESIC AGENTS PFIZER PRODUCTS INC. (US) 2001-06-07 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 (1 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-20030236258-A1 Heterocyclo-alkylsulfonyl pyrazole derivatives as anti-inflammatory/analgesic agents PTGS1, SULT2A1, PTGES3 PLOD2 3268/4885TAS1R3 942/4885TAS1R1 953/4885

“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.