SCHEMBL4635007

SCHEMBL4635007

O=C(O)Cc1ccc(OCCOc2c(C(=O)NCC3CCCCC3)sc3ccccc23)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 1/20 0.49
ALDH1A1 P00352 4/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
NMT1 P30419 1/20 0.45
CNR1 P21554 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
LMNA P02545 1/20 0.42
NPC1 O15118 2/20 0.40
HPGD P15428 1/20 0.40
RAB9A P51151 1/20 0.40
MMP13 P45452 1/20 0.40
SENP5 Q96HI0 4/20 0.40
SENP2 Q9HC62 4/20 0.40
SENP1 Q9P0U3 4/20 0.40
USP2 O75604 1/20 0.39
HTT P42858 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
KDM1A O60341 1/20 0.39
POLB P06746 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
SCHEMBL4632926 0.91 CXCR2 (0.48) CXCR2ALDH1A1MEN1KMT2ANMT1
SCHEMBL4634477 0.84 ALDH1A1 (0.50) CXCR2ALDH1A1MEN1KMT2ANMT1
SCHEMBL4633945 0.83 ALDH1A1 (0.49) CXCR2ALDH1A1MEN1KMT2ANMT1
SCHEMBL4635005 0.81 CXCR2 (0.46) CXCR2ALDH1A1MEN1KMT2ANMT1
SCHEMBL4632932 0.80 SENP2 (0.52) ALDH1A1MEN1KMT2ASENP5SENP2
SCHEMBL4634941 0.79 ALDH1A1 (0.52) CXCR2ALDH1A1MEN1KMT2ANMT1
SCHEMBL4606015 0.79 CXCR2 (0.56) CXCR2ALDH1A1KMT2ALMNASENP5
SCHEMBL4634470 0.76 CXCR2 (0.53) CXCR2ALDH1A1LMNASENP5SENP2
SCHEMBL4604550 0.76 CXCR2 (0.59) CXCR2ALDH1A1KMT2ALMNASENP5
SCHEMBL4634975 0.76 CXCR2 (0.52) CXCR2ALDH1A1LMNASENP5SENP2

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-1685121-B1 ANTIDIABETIC COMPOUNDS COMPRISING BENZOTHIOPHENE DERIVATIVES MERCK PATENT GMBH (DE) 2008-06-11 EP disclosed
US-7375130-B2 Antidiabetic compounds comprising benzofuran and benzothiophene derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2008-05-20 US disclosed
US-20070078178-A1 Antidiabetic compounds comprising benzofuran and benzothiophene derivatives MERCK PATENT GMBH (DE) 2007-04-05 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-20070078178-A1 Antidiabetic compounds comprising benzofuran and benzothiophene derivatives GPR119, INSR, GLP1R CXCR2 2534/4885ALDH1A1 668/4885MEN1 1735/4885

“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.