SCHEMBL4618003

SCHEMBL4618003

O=C(O)c1ccc(OCCOc2c(C(=O)c3ccccc3)sc3ccccc23)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 1/20 0.56
PKM P14618 1/20 0.55
MAOB P27338 2/20 0.50
LMNA P02545 4/20 0.49
L3MBTL1 Q9Y468 3/20 0.49
MAPT P10636 2/20 0.49
GAA P10253 1/20 0.48
SRD5A2 P31213 1/20 0.46
ESR1 P03372 3/20 0.45
ESR2 Q92731 2/20 0.45
PPARA Q07869 1/20 0.45
CNR2 P34972 3/20 0.44
MAPK1 P28482 1/20 0.44
ALDH1A1 P00352 1/20 0.44
KMT2A Q03164 1/20 0.44
CNR1 P21554 1/20 0.43
NR4A1 P22736 1/20 0.43
NR4A2 P43354 1/20 0.43
NR4A3 Q92570 1/20 0.43
PARP10 Q53GL7 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
SCHEMBL4602975 0.89 CXCR2 (0.55) CXCR2MAOBLMNAL3MBTL1MAPT
SCHEMBL4604453 0.89 CXCR2 (0.59) CXCR2MAOBLMNAL3MBTL1MAPT
SCHEMBL4603395 0.85 FFAR1 (0.53) CXCR2MAOBLMNAL3MBTL1SRD5A2
SCHEMBL4606075 0.85 CXCR2 (0.61) CXCR2PKMMAOBLMNAL3MBTL1
SCHEMBL4633557 0.85 CXCR2 (0.55) CXCR2PKMMAOBLMNAL3MBTL1
SCHEMBL4605734 0.84 SENP2 (0.53) SRD5A2ALDH1A1
SCHEMBL4633866 0.83 CXCR2 (0.67) CXCR2PKMLMNAMAPTALDH1A1
SCHEMBL4603385 0.82 CXCR2 (0.53) CXCR2MAOBLMNAL3MBTL1MAPT
SCHEMBL4605404 0.81 PPARA (0.48) CXCR2MAOBLMNAPPARAALDH1A1
SCHEMBL4603993 0.81 SENP5 (0.47) 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 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 CXCR2 1633/4885PKM 707/4885MAOB 2409/4885

“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.