SCHEMBL1924223

SCHEMBL1924223

Cc1ccccc1C(=O)CC(=O)C(F)(F)F

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ERCC5 P28715 1/20 0.59
▸ FEN1 P39748 1/20 0.59
▸ PLOD2 O00469 3/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ NPC1 O15118 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ PLOD3 O60568 2/20 0.46
▸ PLOD1 Q02809 2/20 0.46
▸ CTNNB1 P35222 4/20 0.44
▸ WNT3A P56704 4/20 0.44
▸ HPGD P15428 2/20 0.44
▸ CES1 P23141 1/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ GAA P10253 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.40
▸ ALOX12 P18054 1/20 0.40

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
SCHEMBL8735550 0.82 ERCC5 (0.74) ERCC5FEN1MEN1NPC1RAB9A
SCHEMBL1924959 0.80 PTPN1 (0.61) ERCC5FEN1PLOD2MEN1NPC1
SCHEMBL4588485 0.79 PLOD2 (0.49) PLOD2MEN1NPC1RAB9AKMT2A
SCHEMBL16014065 0.79 MEN1 (0.54) PLOD2MEN1NPC1RAB9AKMT2A
SCHEMBL3474396 0.79 LMNA (0.56) PLOD2PLOD3PLOD1CTNNB1WNT3A
SCHEMBL31475594 0.79 LMNA (0.56) PLOD2PLOD3PLOD1CTNNB1WNT3A
SCHEMBL1923885 0.79 ERCC5 (0.59) ERCC5FEN1PLOD2MEN1NPC1
SCHEMBL9072150 0.78 NPC1 (0.62) PLOD2NPC1RAB9AKMT2AL3MBTL1
SCHEMBL3660192 0.77 ERCC5 (0.72) ERCC5FEN1MEN1NPC1RAB9A
SCHEMBL8383887 0.77 ERCC5 (0.67) ERCC5FEN1MEN1NPC1RAB9A

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7759497-B2 Synthesis of diaryl pyrazoles PFIZER INC. (US) 2010-07-20 — — US claimed
US-20070004924-A1 such as (4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyrazole-1-yl]benzenesulfonamide), celecoxib, via reacting 1,3-diketone and 4-sulfamidophenyl hydrazine halide salt in solvent system containing isopropanol PHARMACIA CORPORATION 2007-01-04 — — US claimed
EP-1507766-A4 SYNTHESIS OF DIARYL PYRAZOLES PHARMACIA CORP (US) 2006-06-14 — — EP claimed
EP-1507766-A1 SYNTHESIS OF DIARYL PYRAZOLES Pharmacia Corporation (US) 2005-02-23 — — EP claimed
US-20040024225-A1 Synthesis of diaryl pyrazoles PHARMACIA CORPORATION 2004-02-05 — — US claimed
WO-2003099794-A1 SYNTHESIS OF DIARYL PYRAZOLES PHARMACIA CORPORATION (US) 2003-12-04 — — WO claimed
US-7998986-B2 Heterocyclic compounds, in particular N-substituted pyridones for modulating the activity of nuclear receptors EXELIXIS PATENT COMPANY LLC (US) 2011-08-16 — — US disclosed
US-7998986-B2 Heterocyclic compounds, in particular N-substituted pyridones for modulating the activity of nuclear receptors EXELIXIS PATENT COMPANY LLC (US) 2011-08-16 — — US disclosed
EP-1670801-B1 PYRAZOLO AND IMIDAZO-PYRIMIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2011-06-08 — — EP disclosed
US-7759497-B2 Synthesis of diaryl pyrazoles PFIZER INC. (US) 2010-07-20 — — US disclosed
US-7514443-B2 Substituted pyrazolo[1,5-a]pyrimidines as inhibitors of metabotropic glutamate receptors HOFFMANN-LA ROCHE INC. (US) 2009-04-07 — — US disclosed
EP-1377289-A4 HETEROCYCLIC COMPOUNDS FOR THERAPEUTIC USE JB CHEMICALS & PHARMACEUTICALS (IN) 2008-09-10 — — EP disclosed
US-20080051421-A1 Pyrazolo-pyridine WICHMANN JUERGEN 2008-02-28 — — US disclosed
EP-1377289-A2 HETEROCYCLIC COMPOUNDS FOR THERAPEUTIC USE J.B. Chemicals & Pharmaceuticals Ltd. (IN) 2004-01-07 — — EP disclosed
EP-0821297-B1 Method for controlling traveling using a luminescent compound MITSUI CHEMICALS INC (JP) 2002-10-09 — — EP disclosed
WO-2002074235-A2 HETEROCYCLIC COMPOUNDS FOR THERAPEUTIC USE J.B. CHEMICALS & PHARMACEUTICALS LTD (IN) 2002-09-26 — — WO disclosed
US-6403629-B2 1-(P-(METHYLSULFONAMIDO)PHENYL)-3-TRIFLUOROMETHYL-5-PHENYLPYRA ZOLONE AND DERIVATIVES; ANTIINFLAMMATORY AGENTS J.B. CHEMICAL AND PHARMACEUTICALS LIMITED (IN) 2002-06-11 — — US disclosed
US-20010047023-A1 New Heterocyclic compounds for therapeutic use J.B. CHEMICALS & PHARMACEUTICALS LIMITED 2001-11-29 — — US disclosed
US-6203725-B1 FOR CONTROLLING TRAVELING OF A TRAVELING ARTICLES INCLUDING AUTOMATIC GUIDED VEHICLES SUCH AS INDUSTRIAL ROBOT MITSUI CHEMICALS, INC. (JP) 2001-03-20 — — US disclosed
EP-0821297-A1 Luminescent compound for controlling traveling and method for controlling traveling using the same MITSUI TOATSU CHEMICALS, Inc. (JP) 1998-01-28 — — EP 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 (4 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-20070004924-A1 such as (4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyrazole-1-yl]benzenesulfonamide), celecoxib, via reacting 1,3-diketone and 4-sulfamidophenyl hydrazine halide salt in solvent system containing isopropanol KHK, GCK, SYMPK ERCC5 4822/4885FEN1 4843/4885PLOD2 3796/4885
US-20010047023-A1 New Heterocyclic compounds for therapeutic use AADAC, NAT1, FPR1 ERCC5 4247/4885FEN1 4498/4885PLOD2 2358/4885
US-20040024225-A1 Synthesis of diaryl pyrazoles HDHD5, PDCD2L, HELZ ERCC5 3938/4885FEN1 4497/4885PLOD2 4000/4885
US-20080051421-A1 Pyrazolo-pyridine CHRM2, CHRM1, QDPR ERCC5 4469/4885FEN1 4584/4885PLOD2 3738/4885

“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.

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