SCHEMBL4633943

SCHEMBL4633943

CN(C(=O)c1sc2ccccc2c1OCCCCCC(=O)O)C1CCCCC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCC1 P33527 1/20 0.43
CXCR2 P25025 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
GAA P10253 1/20 0.40
PDE3B Q13370 1/20 0.39
PDE3A Q14432 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ALDH1A1 P00352 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
GPR55 Q9Y2T6 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
SCHEMBL4634474 0.99 ABCC1 (0.44) ABCC1CXCR2SMN1; SMN2MEN1KMT2A
SCHEMBL4634944 0.86 ABCC1 (0.43) ABCC1CXCR2SMN1; SMN2MEN1KMT2A
SCHEMBL4632921 0.85 CXCR2 (0.45) ABCC1CXCR2SMN1; SMN2MEN1KMT2A
SCHEMBL4632963 0.84 CXCR2 (0.47) CXCR2KMT2AALDH1A1
SCHEMBL4633542 0.83 CXCR2 (0.47) CXCR2KMT2AALDH1A1HPGDTSHR
SCHEMBL4635005 0.83 CXCR2 (0.46) ABCC1CXCR2SMN1; SMN2MEN1KMT2A
SCHEMBL4634457 0.80 CXCR2 (0.48) CXCR2KMT2AALDH1A1CYP1A2CYP2C9
SCHEMBL4632940 0.80 ABCC1 (0.45) ABCC1SMN1; SMN2MEN1KMT2AGAA
SCHEMBL4632936 0.80 ABCC1 (0.45) ABCC1SMN1; SMN2MEN1KMT2AGAA
SCHEMBL4633945 0.79 ALDH1A1 (0.49) CXCR2SMN1; SMN2MEN1KMT2AALDH1A1

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 ABCC1 9/4885CXCR2 2534/4885SMN1; SMN2 2478/4885

“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.