SCHEMBL6734856

SCHEMBL6734856

COC(=O)c1c(O)cc(C(F)(F)F)nc1C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.44
HPGD P15428 2/20 0.44
ACHE P22303 1/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
SDHB P21912 2/20 0.39
NOTUM Q6P988 2/20 0.39
NPC1 O15118 1/20 0.38
PKM P14618 1/20 0.38
KDM4E B2RXH2 4/20 0.37
POLB P06746 3/20 0.37
ALDH1A1 P00352 3/20 0.37
CFTR P13569 2/20 0.36
LMNA P02545 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL10352684 0.86 CYP3A4 (0.45) CYP3A4HPGDACHECA12CA1
SCHEMBL10364438 0.84 MAPT (0.40) SDHBNOTUMNPC1PKMKDM4E
SCHEMBL9589647 0.84 NR1H2 (0.51) CYP3A4HPGDCA12CA1CA2
SCHEMBL10363011 0.83 KDM4E (0.41) CYP3A4HPGDSDHBNOTUMNPC1
SCHEMBL10364814 0.80 MAPT (0.40) CYP3A4HPGDACHECA12CA1
SCHEMBL15110977 0.79 CDK8 (0.38) CA2NPC1POLBALDH1A1LMNA
SCHEMBL10364788 0.79 KDM4E (0.38) CYP3A4SDHBNOTUMNPC1PKM
SCHEMBL10364482 0.76 GABRP (0.39) NOTUMNPC1PKMKDM4EALDH1A1
SCHEMBL10362921 0.75 NR1H2 (0.48) CYP3A4HPGDCA12CA1CA2
SCHEMBL10694814 0.74 MAPT (0.44) SDHBNOTUMKDM4EPOLBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0276204-A2 Pyridine gametocides Monsanto Company (US) 1988-07-27 EP claimed
US-20040220231-A1 Substituted pyridines useful for inhibiting cholesteryl ester transfer protein activity LEE LEN F (US) 2004-11-04 US disclosed
US-6794396-B2 Substituted pyridines useful for inhibiting cholesteryl ester transfer protein activity PHARMACIA CORPORATION 2004-09-21 US disclosed
US-20040038939-A1 Substituted pyridines useful for inhibiting cholesteryl ester transfer protein activity PHARMACIA CORPORATION 2004-02-26 US disclosed
US-6605624-B1 Preventing and/or treating atherosclerosis and other coronary artery diseases PHARMACIA CORPORATION 2003-08-12 US disclosed
EP-0181852-B1 SUBSTITUTED 2,6-SUBSTITUTED PYRIDINE COMPOUNDS Monsanto Company (US) 1990-08-29 EP disclosed
EP-0276204-A3 Pyridine gametocides Monsanto Company (US) 1989-06-07 EP disclosed
US-4789395-A POST- AND PRE-EMERGENT MONSANTO COMPANY (US) 1988-12-06 US disclosed
EP-0276204-A2 Pyridine gametocides Monsanto Company (US) 1988-07-27 EP disclosed
EP-0276204-A2 Pyridine gametocides Monsanto Company (US) 1988-07-27 EP disclosed
US-4747871-A 2,6-bis(trifluoromethyl)-3-hydroxycarbonyl pyridine, salts and gametocides MONSANTO COMPANY (US) 1988-05-31 US disclosed
EP-0258201-A1 5-Sulfur substituted pyridine monocarboxylic herbicides Monsanto Company (US) 1988-03-02 EP disclosed
US-4655816-A PLANT GROWTH REGULATORS MONSANTO COMPANY (US) 1987-04-07 US disclosed
EP-0181852-A1 Substituted 2,6-substituted pyridine compounds Monsanto Company (US) 1986-05-21 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 (2 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-20040038939-A1 Substituted pyridines useful for inhibiting cholesteryl ester transfer protein activity CETP, CES1, MTTP CYP3A4 391/4885HPGD 2470/4885ACHE 2714/4885
US-20040220231-A1 Substituted pyridines useful for inhibiting cholesteryl ester transfer protein activity CETP, MTTP, LCAT CYP3A4 330/4885HPGD 2389/4885ACHE 2731/4885

“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.