SCHEMBL4633557

SCHEMBL4633557

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 1/20 0.55
PKM P14618 1/20 0.51
BCL2 P10415 1/20 0.42
BCL2L1 Q07817 1/20 0.42
MCL1 Q07820 1/20 0.42
BAD Q92934 1/20 0.42
MAPT P10636 4/20 0.42
LMNA P02545 3/20 0.42
ALDH1A1 P00352 3/20 0.42
MAOB P27338 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
KMT2A Q03164 2/20 0.41
SENP5 Q96HI0 1/20 0.41
SENP2 Q9HC62 1/20 0.41
SENP1 Q9P0U3 1/20 0.41
MAPK1 P28482 1/20 0.41
TP53 P04637 1/20 0.41
TSHR P16473 1/20 0.41
RAB9A P51151 1/20 0.41
L3MBTL1 Q9Y468 1/20 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
SCHEMBL4634470 0.87 CXCR2 (0.53) CXCR2BCL2BCL2L1MCL1BAD
SCHEMBL4633565 0.85 SENP2 (0.49) ALDH1A1SENP5SENP2SENP1
SCHEMBL4633030 0.85 CXCR2 (0.52) CXCR2LMNAL3MBTL1
SCHEMBL4618003 0.85 CXCR2 (0.56) CXCR2PKMMAPTLMNAALDH1A1
SCHEMBL4606075 0.84 CXCR2 (0.61) CXCR2PKMBCL2BCL2L1MCL1
SCHEMBL4634457 0.81 CXCR2 (0.48) CXCR2BCL2BCL2L1MCL1BAD
SCHEMBL4633866 0.80 CXCR2 (0.67) CXCR2PKMBCL2BCL2L1MCL1
SCHEMBL4633542 0.80 CXCR2 (0.47) CXCR2BCL2BCL2L1MCL1BAD
SCHEMBL4632963 0.79 CXCR2 (0.47) CXCR2BCL2BCL2L1MCL1BAD
SCHEMBL4634974 0.78 SENP5 (0.53) PKMRXFP1SENP5SENP2SENP1

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 2534/4885PKM 547/4885BCL2 1501/4885

“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.