SCHEMBL6168439

SCHEMBL6168439

O=C(CC(=O)C(F)F)c1ccc(F)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLOD2 O00469 1/20 0.56
NPC1 O15118 3/20 0.53
RAB9A P51151 3/20 0.53
PTPN1 P18031 1/20 0.53
KMT2A Q03164 3/20 0.50
MEN1 O00255 2/20 0.50
MAPT P10636 2/20 0.50
ALOX12 P18054 2/20 0.50
HTT P42858 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
HPGD P15428 2/20 0.50
NPSR1 Q6W5P4 1/20 0.50
HTR7 P34969 1/20 0.47
CES2 O00748 1/20 0.46
CES1 P23141 1/20 0.46
HSD11B1 P28845 2/20 0.46
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
TP53 P04637 2/20 0.42
KDM4E B2RXH2 1/20 0.42

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
SCHEMBL14504336 0.84 PTPN1 (0.50) NPC1RAB9APTPN1MAPTHTT
SCHEMBL2491432 0.83 PLOD2 (0.69) PLOD2NPC1RAB9APTPN1KMT2A
SCHEMBL527362 0.82 PLOD2 (0.55) PLOD2NPC1RAB9APTPN1KMT2A
SCHEMBL6339289 0.82 ERCC5 (0.56) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL29083842 0.82 GSK3B (0.53) NPC1RAB9AKMT2AMEN1HPGD
SCHEMBL13916848 0.82 NPC1 (0.58) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL1953538 0.82 KMT2A (0.64) PLOD2NPC1RAB9APTPN1KMT2A
SCHEMBL28775921 0.79 NPC1 (0.75) PLOD2NPC1RAB9APTPN1KMT2A
SCHEMBL13731179 0.79 ALDH1A1 (0.50) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL8981413 0.79 ERCC5 (0.61) NPC1RAB9APTPN1KMT2AMEN1

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 3268/4885NPC1 4013/4885RAB9A 2058/4885

“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.