SCHEMBL4603385

SCHEMBL4603385

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

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 1/20 0.53
MAOB P27338 1/20 0.45
LMNA P02545 3/20 0.44
MAPT P10636 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
LTA4H P09960 1/20 0.43
SENP5 Q96HI0 3/20 0.42
SENP2 Q9HC62 3/20 0.42
SENP1 Q9P0U3 3/20 0.42
TSHR P16473 1/20 0.42
ALDH1A1 P00352 1/20 0.41
PPARG P37231 3/20 0.41
CNR2 P34972 1/20 0.41
FFAR1 O14842 2/20 0.41

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
SCHEMBL4633571 0.91 CXCR2 (0.55) CXCR2LMNAMAPTLTA4HSENP5
SCHEMBL4603395 0.90 FFAR1 (0.53) CXCR2MAOBLMNAL3MBTL1FFAR1
SCHEMBL4635068 0.85 LMNA (0.51) CXCR2LMNAMAPTL3MBTL1ALDH1A1
SCHEMBL4618003 0.82 CXCR2 (0.56) CXCR2MAOBLMNAMAPTL3MBTL1
SCHEMBL4602975 0.81 CXCR2 (0.55) CXCR2MAOBLMNAMAPTL3MBTL1
SCHEMBL4604453 0.80 CXCR2 (0.59) CXCR2MAOBLMNAMAPTL3MBTL1
SCHEMBL4603993 0.80 SENP5 (0.47) CXCR2MAOBLMNASENP5SENP2
SCHEMBL4604985 0.80 CXCR2 (0.54) CXCR2LMNAMAPTL3MBTL1PPARG
SCHEMBL4635016 0.80 CXCR2 (0.43) CXCR2LMNAMAPTL3MBTL1LTA4H
SCHEMBL4603643 0.79 ALDH1A1 (0.46) CXCR2MAOBLMNAMAPTL3MBTL1

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 12 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
US-7371774-B2 Benzofurans and benzothiophenes MERCK PATENT GMBH (DE) 2008-05-13 US claimed
US-20070066680-A1 Benzofurans and benzothiophenes MERCK PATENT GMBH (DE) 2007-03-22 US claimed
EP-1685122-A1 BENZOFURANS AND BENZOTHIOPHENES MERCK PATENT GmbH (DE) 2006-08-02 EP claimed
WO-2005054226-A1 BENZOFURANS AND BENZOTHIOPHENES MERCK PATENT GMBH (DE) 2005-06-16 WO 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-7371774-B2 Benzofurans and benzothiophenes MERCK PATENT GMBH (DE) 2008-05-13 US 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
US-20070066680-A1 Benzofurans and benzothiophenes MERCK PATENT GMBH (DE) 2007-03-22 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 CXCR2 1633/4885MAOB 2409/4885LMNA 2810/4885

“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.