SCHEMBL4587759

SCHEMBL4587759

Cc1ccc(C(=O)CC(=O)C(F)(F)F)cc1C

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLOD2 O00469 3/20 0.59
PLOD3 O60568 2/20 0.53
PLOD1 Q02809 2/20 0.53
LMNA P02545 1/20 0.47
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.47
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
HTT P42858 2/20 0.43
CES2 O00748 1/20 0.43
CES1 P23141 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
NR1H4 Q96RI1 1/20 0.42
GLA P06280 1/20 0.41
TAS1R3 Q7RTX0 1/20 0.41
TAS1R1 Q7RTX1 1/20 0.41
MAPK1 P28482 1/20 0.41
ALDH1A1 P00352 2/20 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
SCHEMBL1924656 0.85 PLOD2 (0.54) PLOD2PLOD3PLOD1MAPTKMT2A
SCHEMBL1348683 0.85 PLOD2 (0.54) PLOD2PLOD3PLOD1KMT2AMEN1
SCHEMBL1349593 0.85 PLOD2 (0.54) PLOD2PLOD3PLOD1LMNAGAA
SCHEMBL13622409 0.83 LMNA (0.56) LMNAGAAMAPTKMT2AMEN1
SCHEMBL6169355 0.83 PLOD2 (0.51) PLOD2PLOD3PLOD1GAAMAPT
SCHEMBL2891927 0.81 TSHR (0.57) PLOD2PLOD3PLOD1LMNAGAA
SCHEMBL1593867 0.80 PLOD2 (0.70) PLOD2PLOD3PLOD1LMNAGAA
SCHEMBL10613378 0.79 PLOD2 (0.68) PLOD2PLOD3PLOD1LMNAGAA
SCHEMBL11044715 0.78 KMT2A (0.51) LMNAGAAMAPTKMT2AMEN1
SCHEMBL9279519 0.78 LMNA (0.51) LMNAGAAMAPTKMT2AMEN1

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-1377289-A4 HETEROCYCLIC COMPOUNDS FOR THERAPEUTIC USE JB CHEMICALS & PHARMACEUTICALS (IN) 2008-09-10 EP disclosed
EP-1377289-A2 HETEROCYCLIC COMPOUNDS FOR THERAPEUTIC USE J.B. Chemicals & Pharmaceuticals Ltd. (IN) 2004-01-07 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

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-20010047023-A1 New Heterocyclic compounds for therapeutic use AADAC, NAT1, FPR1 PLOD2 2358/4885PLOD3 344/4885PLOD1 2928/4885

“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.