SCHEMBL2676753

SCHEMBL2676753

CCOC(=O)C(CCc1ccccc1)NC(C)[C]=O

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.53
ACE P12821 10/20 0.53
LMNA P02545 2/20 0.53
ABCB11 O95342 2/20 0.51
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
USP2 O75604 1/20 0.49
CYP3A4 P08684 1/20 0.49
ALOX15 P16050 1/20 0.49
PDE3A Q14432 1/20 0.46
REN P00797 2/20 0.46

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
SCHEMBL503523 1.00 SMN1; SMN2 (0.53) SMN1; SMN2ACELMNAABCB11MEN1
SCHEMBL503522 1.00 SMN1; SMN2 (0.53) SMN1; SMN2ACELMNAABCB11MEN1
SCHEMBL10835080 0.91 SMN1; SMN2 (0.46) SMN1; SMN2ACELMNAABCB11MEN1
SCHEMBL14374305 0.86 ACE (0.60) SMN1; SMN2ACELMNAABCB11MEN1
SCHEMBL12304830 0.86 ACE (0.60) SMN1; SMN2ACELMNAABCB11MEN1
SCHEMBL4671537 0.85 ACE (0.61) SMN1; SMN2ACELMNAABCB11MEN1
SCHEMBL4671532 0.85 ACE (0.61) SMN1; SMN2ACELMNAABCB11MEN1
SCHEMBL3780597 0.83 ACE (0.60) SMN1; SMN2ACELMNAABCB11MEN1
SCHEMBL4669921 0.83 ACE (0.60) SMN1; SMN2ACELMNAABCB11MEN1
SCHEMBL4669890 0.83 ACE (0.60) SMN1; SMN2ACELMNAABCB11MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8173817-B2 synthesis of substituted sulfoxides either as a single enantiomer or in an enantiomerically enriched form. Thus, 5-methoxy-2-[[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]thio]-1H-benzimidazole is reacted with (R)-camphorsulfonyl-5- (and 6-)methoxy-2-[(3camphorsulfonyl chloride to form a mixture HETERO DRUGS LIMITED (IN) 2012-05-08 US claimed
US-20080076930-A1 NOVEL STEREOSELECTIVE SYNTHESIS OF BENZIMIDAZOLE SULFOXIDES HETERO DRUGS LIMITED (IN) 2008-03-27 US claimed

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-20080076930-A1 NOVEL STEREOSELECTIVE SYNTHESIS OF BENZIMIDAZOLE SULFOXIDES CYP2S1, TPMT, CYP2B6 SMN1; SMN2 2181/4885ACE 2458/4885LMNA 4828/4885

“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.