SCHEMBL4635005

SCHEMBL4635005

CN(C(=O)c1sc2ccccc2c1OCCOc1ccc(CC(=O)O)cc1)C1CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 1/20 0.46
ABCC1 P33527 1/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
LTB4R Q15722 2/20 0.40
LTB4R2 Q9NPC1 2/20 0.40
GAA P10253 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.39
CCR5 P51681 2/20 0.39
PDE3B Q13370 1/20 0.39
PDE3A Q14432 1/20 0.39
RXFP1 Q9HBX9 2/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
ENPP2 Q13822 1/20 0.38
OPRK1 P41145 1/20 0.37
HTT P42858 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL4632921 0.91 CXCR2 (0.45) CXCR2ABCC1MEN1KMT2AGAA
SCHEMBL4634470 0.85 CXCR2 (0.53) CXCR2LTB4RLTB4R2RXFP1ALDH1A1
SCHEMBL4634474 0.84 ABCC1 (0.44) CXCR2ABCC1MEN1KMT2AGAA
SCHEMBL4633943 0.83 ABCC1 (0.43) CXCR2ABCC1MEN1KMT2AGAA
SCHEMBL4635007 0.81 CXCR2 (0.49) CXCR2MEN1KMT2ASMN1; SMN2RXFP1
SCHEMBL4632936 0.80 ABCC1 (0.45) ABCC1MEN1KMT2AGAASMN1; SMN2
SCHEMBL4606015 0.80 CXCR2 (0.56) CXCR2KMT2ALTB4RLTB4R2RXFP1
SCHEMBL4634944 0.79 ABCC1 (0.43) CXCR2ABCC1MEN1KMT2AGAA
SCHEMBL4604550 0.78 CXCR2 (0.59) CXCR2KMT2ALTB4RLTB4R2RXFP1
SCHEMBL4632940 0.77 ABCC1 (0.45) ABCC1MEN1KMT2AGAASMN1; SMN2

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 2534/4885ABCC1 9/4885MEN1 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.