SCHEMBL4587003

SCHEMBL4587003

CCOc1ccc(C(=O)CC(=O)C(F)(F)F)cc1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PLOD2 O00469 2/20 0.60
NPC1 O15118 2/20 0.58
PLK1 P53350 1/20 0.54
PLOD3 O60568 1/20 0.54
PLOD1 Q02809 1/20 0.54
ALDH1A1 P00352 3/20 0.54
PARP10 Q53GL7 1/20 0.53
RAB9A P51151 2/20 0.51
MAPT P10636 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.48
NPSR1 Q6W5P4 2/20 0.48
HPGD P15428 1/20 0.48
PLA2G4B P0C869 1/20 0.47
KMT2A Q03164 1/20 0.47
CYP1A1 P04798 1/20 0.47
CYP1B1 Q16678 1/20 0.47
MAOB P27338 1/20 0.47

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
SCHEMBL11136730 0.95 PLOD2 (0.55) PLOD2NPC1PLK1PLOD3PLOD1
SCHEMBL12856295 0.88 MMP1 (0.57) PLOD2PLOD3PLOD1ALDH1A1L3MBTL1
SCHEMBL1115952 0.86 GAA (0.52) PLOD2NPC1PLOD3PLOD1ALDH1A1
SCHEMBL7627400 0.84 NPC1 (0.72) NPC1PLK1ALDH1A1PARP10RAB9A
SCHEMBL11138996 0.84 RARB (0.57) PLOD2L3MBTL1PLA2G4B
SCHEMBL11139462 0.84 L3MBTL1 (0.56) PLOD2PLK1PLOD3PLOD1ALDH1A1
SCHEMBL709889 0.83 PLOD2 (0.64) PLOD2NPC1PLOD3PLOD1ALDH1A1
SCHEMBL11139961 0.82 RARB (0.60) PLOD2L3MBTL1PLA2G4B
SCHEMBL1180670 0.81 PLOD2 (0.57) PLOD2PLOD3PLOD1MAPTL3MBTL1
SCHEMBL3247389 0.81 PLOD2 (0.60) PLOD2PLOD3PLOD1ALDH1A1RAB9A

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 2358/4885NPC1 1438/4885PLK1 4788/4885

“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.