SCHEMBL4460092

SCHEMBL4460092

CCCCCCc1cc2c(cc1CNCC(=O)O)C(=O)CC2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 3/20 0.38
S1PR3 Q99500 3/20 0.38
S1PR2 O95136 2/20 0.38
TSHR P16473 1/20 0.36
SCD O00767 1/20 0.36
LTB4R Q15722 4/20 0.36
LTB4R2 Q9NPC1 4/20 0.36
F13A1 P00488 3/20 0.35
PPARA Q07869 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34
RECQL P46063 1/20 0.34
HIF1A Q16665 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
CYSLTR2 Q9NS75 1/20 0.34
CYSLTR1 Q9Y271 1/20 0.34
CDC25A P30304 4/20 0.33
CDC25B P30305 4/20 0.33
CDC25C P30307 3/20 0.33

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
SCHEMBL4450851 0.82 TSHR (0.37) TSHRSCDLTB4RLTB4R2F13A1
SCHEMBL2305004 0.79 TYR (0.46) TSHRPPARAALDH1A1LMNAPOLB
SCHEMBL4450873 0.78 KDM4E (0.39) LMNATDP1CYSLTR2CYSLTR1HSD17B1
SCHEMBL13956465 0.78 TSHR (0.56) TSHRLTB4RLTB4R2PPARAALDH1A1
SCHEMBL13956434 0.76 LTB4R (0.47) TSHRLTB4RLTB4R2
SCHEMBL4450768 0.76 LTB4R (0.49) TSHRLTB4RLTB4R2
SCHEMBL4453277 0.76 LTB4R (0.47) TSHRLTB4RLTB4R2
SCHEMBL13956429 0.75 CYSLTR2 (0.39) TSHRSCDPPARAALDH1A1LMNA
SCHEMBL4456865 0.75 CYSLTR2 (0.42) SCDLTB4RLTB4R2F13A1PPARA
SCHEMBL4445395 0.75 SCD (0.40) TSHRSCDF13A1PPARAALDH1A1

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 S1PR1 475/4885S1PR3 515/4885S1PR2 580/4885

“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.