SCHEMBL2176372

SCHEMBL2176372

O=C(O)C1CC(=O)N(CCc2cccs2)C1

nearest known ligand 0.76

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.76
SMN1; SMN2 Q16637 2/20 0.57
POLB P06746 4/20 0.47
HTT P42858 2/20 0.47
ALDH1A1 P00352 2/20 0.46
HPGD P15428 2/20 0.46
KDM4E B2RXH2 1/20 0.44
GAA P10253 1/20 0.44
TP53 P04637 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 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
SCHEMBL14648049 1.00 L3MBTL1 (0.76) L3MBTL1SMN1; SMN2POLBHTTALDH1A1
SCHEMBL18901976 0.90 L3MBTL1 (0.61) L3MBTL1SMN1; SMN2POLBHTTALDH1A1
SCHEMBL2449353 0.86 L3MBTL1 (1.00) L3MBTL1SMN1; SMN2POLBHTTALDH1A1
SCHEMBL13379352 0.85 L3MBTL1 (0.56) L3MBTL1SMN1; SMN2POLBHTTALDH1A1
SCHEMBL13379349 0.85 L3MBTL1 (0.56) L3MBTL1SMN1; SMN2POLBALDH1A1HPGD
SCHEMBL5842543 0.81 SMN1; SMN2 (0.55) L3MBTL1SMN1; SMN2POLBHTTALDH1A1
SCHEMBL6613615 0.81 L3MBTL1 (0.51) L3MBTL1SMN1; SMN2POLBHPGDGAA
SCHEMBL843091 0.79 SMN1; SMN2 (0.77) L3MBTL1SMN1; SMN2POLBHTTALDH1A1
SCHEMBL1263215 0.79 SMN1; SMN2 (0.77) L3MBTL1SMN1; SMN2POLBHTTALDH1A1
SCHEMBL5390794 0.79 SMN1; SMN2 (0.77) L3MBTL1SMN1; SMN2POLBHTTALDH1A1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8735398-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-05-27 US disclosed
US-20130085147-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-04-04 US disclosed
US-8362020-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-01-29 US disclosed
EP-2519506-A1 HEPATITIS C VIRUS INHIBITORS Bristol-Myers Squibb Company (US) 2012-11-07 EP disclosed
US-20110294819-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-12-01 US disclosed
WO-2011082077-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2011-07-07 WO disclosed
US-7067549-B2 Pyrrolidone carboxamides ACTELION PHARMACEUTICALS AG (CH) 2006-06-27 US disclosed
US-20050192292-A1 Pyrrolidone carboxamides ACTELION PHARMACEUTICALS AG (CH) 2005-09-01 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 (3 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-20110294819-A1 Hepatitis C Virus Inhibitors HAVCR2, MAVS, GTF3C1 L3MBTL1 2276/4885SMN1; SMN2 4709/4885POLB 2039/4885
US-20130085147-A1 Hepatitis C Virus Inhibitors HAVCR2, MAVS, GTF3C1 L3MBTL1 2276/4885SMN1; SMN2 4709/4885POLB 2039/4885
US-20050192292-A1 Pyrrolidone carboxamides NPY1R, NPY5R, NPY2R L3MBTL1 3047/4885SMN1; SMN2 3678/4885POLB 4023/4885

“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.