SCHEMBL468839

SCHEMBL468839

COC(=O)C[C@H](NC(C)=O)C(=O)OC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA9 Q16790 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41
THRB P10828 1/20 0.41
ALOX15 P16050 1/20 0.41
NFKB1 P19838 1/20 0.41
PTGS2 P35354 1/20 0.41
THPO P40225 1/20 0.41
RECQL P46063 1/20 0.41
BLM P54132 1/20 0.41
ALDH1A1 P00352 1/20 0.39
MGAM O43451 1/20 0.39
GAA P10253 1/20 0.39
SI P14410 1/20 0.39
MGAM2 Q2M2H8 1/20 0.39
CA3 P07451 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
SCHEMBL38274 1.00 CA12 (0.42) CA12CA1CA2CA9SMN1; SMN2
SCHEMBL18020925 0.85 SMN1; SMN2 (0.42) CA12CA1CA2CA9SMN1; SMN2
SCHEMBL22043405 0.83 MAPT (0.55) CA12CA1CA2CA9SMN1; SMN2
SCHEMBL2460538 0.83 KDM4E (0.45) CA12CA1CA2CA9SMN1; SMN2
SCHEMBL3420387 0.83 MAPT (0.55) CA12CA1CA2CA9SMN1; SMN2
SCHEMBL15148548 0.83 CA12 (0.42) CA12CA1CA2CA9SMN1; SMN2
SCHEMBL2460543 0.83 KDM4E (0.45) CA12CA1CA2CA9SMN1; SMN2
SCHEMBL24483685 0.82 SMN1; SMN2 (0.39) CA12CA1CA2CA9SMN1; SMN2
SCHEMBL468895 0.82 KDM4E (0.39) CA12CA1CA2CA9SMN1; SMN2
SCHEMBL468894 0.82 KDM4E (0.39) CA12CA1CA2CA9SMN1; 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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9562009-B2 Process to manufacture N-[(3S)-1-[4-[(3-fluorophenyl)methoxy]phenyl]-5-oxo-pyrrolidin-3-yl]acetamide HOFFMANN-LA ROCHE INC. (US) 2017-02-07 US claimed
US-20160237032-A1 PROCESS TO MANUFACTURE N-[(3S)-1-[4-[(3-FLUOROPHENYL)METHOXY]PHENYL]-5-OXO-PYRROLIDIN-3-YL]ACETAMIDE HOFFMANN-LA ROCHE INC. (US) 2016-08-18 US claimed
US-RE42902-E1 N-acetyl aldosamines, N-acetylamino acids and related N-acetyl compounds and their topical use TRISTRATA, INC. (US) 2011-11-08 US claimed
WO-2006119283-A2 ANTI-ODOR COMPOSITIONS AND THERAPEUTIC USE YU RUEY J (US) 2006-11-09 WO claimed
US-20060251597-A1 ANTI-ODOR COMPOSITIONS AND THERAPEUTIC USE YU RUEY J 2006-11-09 US claimed
US-9562009-B2 Process to manufacture N-[(3S)-1-[4-[(3-fluorophenyl)methoxy]phenyl]-5-oxo-pyrrolidin-3-yl]acetamide HOFFMANN-LA ROCHE INC. (US) 2017-02-07 US disclosed
US-20160237032-A1 PROCESS TO MANUFACTURE N-[(3S)-1-[4-[(3-FLUOROPHENYL)METHOXY]PHENYL]-5-OXO-PYRROLIDIN-3-YL]ACETAMIDE HOFFMANN-LA ROCHE INC. (US) 2016-08-18 US disclosed
US-7507820-B2 Diazaphosphacycles WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2009-03-24 US disclosed
WO-2006119283-A2 ANTI-ODOR COMPOSITIONS AND THERAPEUTIC USE YU RUEY J (US) 2006-11-09 WO disclosed
US-20060251597-A1 ANTI-ODOR COMPOSITIONS AND THERAPEUTIC USE YU RUEY J 2006-11-09 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-20160237032-A1 PROCESS TO MANUFACTURE N-[(3S)-1-[4-[(3-FLUOROPHENYL)METHOXY]PHENYL]-5-OXO-PYRROLIDIN-3-YL]ACETAMIDE NANS, PFAS, ALDH18A1 CA12 2104/4885CA1 2282/4885CA2 1532/4885

“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.