SCHEMBL4603775

SCHEMBL4603775

CCCC(Oc1c(C(=O)c2ccc(F)cc2)sc2ccccc12)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.42
KMT2A Q03164 3/20 0.42
ALDH1A1 P00352 2/20 0.42
LMNA P02545 2/20 0.42
PPARG P37231 3/20 0.41
PPARA Q07869 3/20 0.41
CNR2 P34972 4/20 0.41
NOD2 Q9HC29 1/20 0.40
SENP5 Q96HI0 1/20 0.40
SENP2 Q9HC62 1/20 0.40
SENP1 Q9P0U3 1/20 0.40
PTPN1 P18031 2/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
CNR1 P21554 1/20 0.38
NPSR1 Q6W5P4 2/20 0.38
GABRA1 P14867 1/20 0.38
GABRA5 P31644 1/20 0.38
PRNP P04156 1/20 0.38

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
SCHEMBL4605351 0.92 ALDH1A1 (0.48) MAOBKMT2AALDH1A1LMNAPPARG
SCHEMBL4603305 0.91 MAOB (0.44) MAOBKMT2AALDH1A1LMNAPPARG
SCHEMBL4607155 0.89 GABRA1 (0.51) MAOBKMT2AALDH1A1LMNAPPARG
SCHEMBL4605521 0.87 MAOB (0.45) MAOBKMT2AALDH1A1LMNAPPARG
SCHEMBL4605156 0.83 KMT2A (0.47) KMT2AALDH1A1LMNAPPARGPPARA
SCHEMBL4604720 0.83 LMNA (0.50) MAOBKMT2AALDH1A1LMNAPPARG
SCHEMBL4605346 0.81 GABRA1 (0.53) MAOBKMT2AALDH1A1LMNAPPARG
SCHEMBL4633994 0.80 PPARG (0.44) KMT2AALDH1A1LMNAPPARGPPARA
SCHEMBL4606177 0.80 PPARG (0.44) KMT2AALDH1A1LMNAPPARGPPARA
SCHEMBL4606731 0.80 PTPN1 (0.52) MAOBKMT2AALDH1A1LMNAPPARG

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-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
EP-1685122-A1 BENZOFURANS AND BENZOTHIOPHENES MERCK PATENT GmbH (DE) 2006-08-02 EP disclosed
WO-2005054226-A1 BENZOFURANS AND BENZOTHIOPHENES MERCK PATENT GMBH (DE) 2005-06-16 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-20070066680-A1 Benzofurans and benzothiophenes INSR, GPR119, IGF1R MAOB 2409/4885KMT2A 2846/4885ALDH1A1 1032/4885

“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.