SCHEMBL4445403

SCHEMBL4445403

CCCCC#Cc1cc2c(cc1NC(=O)C(F)(F)F)C(=O)CC2

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.34
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
APEX1 P27695 1/20 0.34
CYP2C19 P33261 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
MAOB P27338 1/20 0.30
POLB P06746 1/20 0.30
ACACB O00763 1/20 0.30
NPY5R Q15761 1/20 0.30

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
SCHEMBL4448981 0.81 KDM4E (0.35) MAPTKDM4ELMNACYP1A2CYP3A4
SCHEMBL8385239 0.73 CYP1A2 (0.41) MAPTKDM4ELMNACYP1A2CYP3A4
SCHEMBL4450873 0.72 KDM4E (0.39) MAPTKDM4ELMNACYP1A2CYP3A4
SCHEMBL2303295 0.71 KDM4E (0.35) KDM4EHSD17B10TDP1MAOB
SCHEMBL4450868 0.71 CYSLTR2 (0.33) MAPTKDM4ELMNACYP1A2CYP3A4
SCHEMBL4447289 0.71 ALDH1A1 (0.32) MAPTTDP1
SCHEMBL9633688 0.64 BAZ1A (0.51) MAPTKDM4ECYP1A2CYP2C9CYP2C19
SCHEMBL10751140 0.64 BAZ2B (0.55) CYP1A2CYP2C9CYP2C19SMN1; SMN2HSD17B10
SCHEMBL12850045 0.62 MAPT (0.41) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL12819705 0.61 MAPT (0.50) MAPTKDM4ELMNACYP1A2CYP3A4

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-1583738-B1 INDENONCARBOXYLIC ACIDS DERIVATIVES AND THEIR USE FOR THE TREATMENT OF AND PREVENTING DIABETES AND DYSLIPIDAEMIA MERCK PATENT GMBH (DE) 2017-05-10 EP disclosed
US-7482484-B2 Carboxylic acids and derivatives for the treatment of and preventing diabetes and dyslipidaemia MERCK PATENT GMBH (DE) 2009-01-27 US disclosed
US-20060111445-A1 Novel carboxylic acids and derivatives for the treatment of and preventing diabetes and dyslipidaemia MERCK PATENT GMBH (DE) 2006-05-25 US disclosed
EP-1583738-A1 INDENONCARBOXYLIC ACIDS DERIVATIVES AND THEIR USE FOR THE TREATMENT OF AND PREVENTING DIABETES AND DYSLIPIDAEMIA MERCK PATENT GmbH (DE) 2005-10-12 EP disclosed
WO-2004063148-A1 INDENONCARBOXYLIC ACIDS DERIVATIVES AND THEIR USE FOR THE TREATMENT OF AND PREVENTING DIABETES AND DYSLIPIDAEMIA MERCK PATENT GMBH (DE) 2004-07-29 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-20060111445-A1 Novel carboxylic acids and derivatives for the treatment of and preventing diabetes and dyslipidaemia NR1H3, LDLR, NR1H2 MAPT 4833/4885KDM4E 1765/4885LMNA 1361/4885

“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.