SCHEMBL4604908

SCHEMBL4604908

O=C(O)CCCCOc1c(C(=O)c2ccc(F)cc2)sc2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 2/20 0.48
SENP5 Q96HI0 3/20 0.46
SENP2 Q9HC62 3/20 0.46
SENP1 Q9P0U3 3/20 0.46
PPARG P37231 1/20 0.43
CXCR2 P25025 1/20 0.43
NPSR1 Q6W5P4 3/20 0.42
PRNP P04156 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
MAOB P27338 2/20 0.42
LTB4R Q15722 1/20 0.40
CYP1A2 P05177 1/20 0.40
GABRA1 P14867 1/20 0.40
GABRA5 P31644 1/20 0.40
BCL2 P10415 1/20 0.39
BCL2L1 Q07817 1/20 0.39
MCL1 Q07820 1/20 0.39
BAD Q92934 1/20 0.39
ALDH1A1 P00352 4/20 0.39
KDM4E B2RXH2 2/20 0.39

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
SCHEMBL4605712 0.99 PPARA (0.47) PPARASENP5SENP2SENP1PPARG
SCHEMBL4604089 0.97 SENP5 (0.47) PPARASENP5SENP2SENP1PPARG
SCHEMBL4603929 0.92 PPARA (0.53) PPARASENP5SENP2SENP1CXCR2
SCHEMBL4604559 0.91 PPARA (0.52) PPARASENP5SENP2SENP1CXCR2
SCHEMBL4604716 0.89 GABRA1 (0.54) PPARASENP5SENP2SENP1CXCR2
SCHEMBL4605404 0.88 PPARA (0.48) PPARASENP5SENP2SENP1CXCR2
SCHEMBL4606256 0.88 GABRA1 (0.53) PPARASENP5SENP2SENP1CXCR2
SCHEMBL4604994 0.86 PTPN1 (0.53) SENP5SENP2SENP1CXCR2NPSR1
SCHEMBL4604356 0.85 GABRA1 (0.55) PPARASENP5SENP2SENP1CXCR2
SCHEMBL4602975 0.84 CXCR2 (0.55) PPARASENP5SENP2SENP1CXCR2

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-1685122-B1 BENZOFURANS AND BENZOTHIOPHENES MERCK PATENT GMBH (DE) 2008-07-09 EP disclosed
US-7371774-B2 Benzofurans and benzothiophenes MERCK PATENT GMBH (DE) 2008-05-13 US disclosed
US-20070066680-A1 Benzofurans and benzothiophenes MERCK PATENT GMBH (DE) 2007-03-22 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-20070066680-A1 Benzofurans and benzothiophenes INSR, GPR119, IGF1R PPARA 913/4885SENP5 3478/4885SENP2 4103/4885

“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.