SCHEMBL4604453

SCHEMBL4604453

O=C(c1ccccc1)c1sc2ccccc2c1OCCCOc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 1/20 0.59
MAOB P27338 2/20 0.47
LMNA P02545 4/20 0.46
ALDH1A1 P00352 2/20 0.46
KMT2A Q03164 1/20 0.46
ESR1 P03372 3/20 0.45
PPARA Q07869 2/20 0.45
GAA P10253 1/20 0.44
BCL2 P10415 1/20 0.44
BCL2L1 Q07817 1/20 0.44
MCL1 Q07820 1/20 0.44
BAD Q92934 1/20 0.44
NPC1 O15118 1/20 0.43
HPGD P15428 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MAPT P10636 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
SENP5 Q96HI0 2/20 0.43
SENP2 Q9HC62 2/20 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
SCHEMBL4618003 0.89 CXCR2 (0.56) CXCR2MAOBLMNAALDH1A1KMT2A
SCHEMBL4633991 0.88 CXCR2 (0.62) CXCR2LMNAALDH1A1KMT2ABCL2
SCHEMBL4602975 0.88 CXCR2 (0.55) CXCR2MAOBLMNAALDH1A1KMT2A
SCHEMBL4605404 0.87 PPARA (0.48) CXCR2MAOBLMNAALDH1A1KMT2A
SCHEMBL4603929 0.86 PPARA (0.53) CXCR2MAOBLMNAALDH1A1KMT2A
SCHEMBL4604559 0.85 PPARA (0.52) CXCR2MAOBLMNAALDH1A1KMT2A
SCHEMBL4603993 0.84 SENP5 (0.47) CXCR2MAOBLMNAALDH1A1KMT2A
SCHEMBL4603395 0.84 FFAR1 (0.53) CXCR2MAOBLMNAPPARAL3MBTL1
SCHEMBL4633866 0.83 CXCR2 (0.67) CXCR2LMNAALDH1A1KMT2ABCL2
SCHEMBL4603458 0.82 PTPN1 (0.59) CXCR2MAOBLMNAALDH1A1KMT2A

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.