SCHEMBL4603395

SCHEMBL4603395

O=C(O)CCc1ccc(OCCOc2c(C(=O)c3ccccc3)sc3ccccc23)cc1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 12/20 0.53
CXCR2 P25025 1/20 0.51
SRD5A2 P31213 1/20 0.48
FFAR4 Q5NUL3 2/20 0.47
LMNA P02545 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
PPARA Q07869 1/20 0.46
AKR1B1 P15121 1/20 0.46
PPARD Q03181 2/20 0.46
MAOB P27338 1/20 0.43

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
SCHEMBL4603385 0.90 CXCR2 (0.53) FFAR1CXCR2LMNAL3MBTL1MAOB
SCHEMBL4604985 0.88 CXCR2 (0.54) FFAR1CXCR2FFAR4LMNAL3MBTL1
SCHEMBL4618003 0.85 CXCR2 (0.56) CXCR2SRD5A2LMNAL3MBTL1PPARA
SCHEMBL4633030 0.85 CXCR2 (0.52) FFAR1CXCR2FFAR4LMNAL3MBTL1
SCHEMBL4828979 0.85 CXCR2 (0.57) FFAR1CXCR2FFAR4LMNAL3MBTL1
SCHEMBL4602975 0.84 CXCR2 (0.55) CXCR2LMNAL3MBTL1PPARAMAOB
SCHEMBL4605404 0.84 PPARA (0.48) CXCR2LMNAPPARAMAOB
SCHEMBL4604453 0.84 CXCR2 (0.59) CXCR2LMNAL3MBTL1PPARAMAOB
SCHEMBL4603993 0.84 SENP5 (0.47) CXCR2LMNAMAOB
SCHEMBL4603929 0.83 PPARA (0.53) CXCR2LMNAPPARAMAOB

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 4 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 claimed
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 FFAR1 246/4885CXCR2 1633/4885SRD5A2 553/4885

“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.