SCHEMBL4450868

SCHEMBL4450868

CCCCC#Cc1cc2c(cc1N(C)CC(=O)O)C(=O)CC2

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 1/20 0.33
CYSLTR1 Q9Y271 1/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
MAPT P10636 1/20 0.33
CYP2C9 P11712 1/20 0.33
APEX1 P27695 1/20 0.33
CYP2C19 P33261 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
TNK2 Q07912 1/20 0.32
FFAR1 O14842 1/20 0.31
FFAR4 Q5NUL3 1/20 0.31
CTSL P07711 1/20 0.31
CTSB P07858 1/20 0.31
ACACB O00763 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 0.77 KDM4E (0.35) CYSLTR2CYSLTR1KDM4ELMNACYP1A2
SCHEMBL4460089 0.76 PLA2G2A (0.36) CYSLTR2CYSLTR1LMNATDP1BRD4
SCHEMBL4450873 0.75 KDM4E (0.39) CYSLTR2CYSLTR1KDM4ELMNACYP1A2
SCHEMBL4447289 0.71 ALDH1A1 (0.32) MAPTTDP1
SCHEMBL4445403 0.71 MAPT (0.34) KDM4ELMNACYP1A2CYP3A4CYP2D6
SCHEMBL1026058 0.66 PBRM1 (0.36) HSD17B10TDP1ACACBBRD4
SCHEMBL25335549 0.60 HSD17B1 (0.40) HSD17B10BRD4
SCHEMBL5669192 0.59 ALDH1A1 (0.47) KDM4ELMNACYP1A2CYP3A4CYP2D6
SCHEMBL5667645 0.59 ALDH1A1 (0.47) KDM4ELMNACYP1A2CYP3A4CYP2D6
SCHEMBL2928705 0.59 BRD4 (0.46) HSD17B10BRD4

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 3 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

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 CYSLTR2 343/4885CYSLTR1 239/4885KDM4E 1765/4885

“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.