SCHEMBL10100518

SCHEMBL10100518

CCCCCC(NC(=O)OCc1ccccc1)C(C(=O)OCc1ccccc1)C(=O)OCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.58
CTSS P25774 1/20 0.58
SIRT2 Q8IXJ6 15/20 0.56
SIRT1 Q96EB6 10/20 0.56
SIRT3 Q9NTG7 6/20 0.55
CTSK P43235 1/20 0.51

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
SCHEMBL10100471 0.85 CTSK (0.58) CTSLCTSSCTSK
SCHEMBL17279329 0.84 SIRT2 (0.74) CTSLCTSSSIRT2SIRT1SIRT3
SCHEMBL11308449 0.84 SIRT2 (0.74) CTSLCTSSSIRT2SIRT1SIRT3
SCHEMBL17694104 0.84 SIRT2 (0.74) CTSLCTSSSIRT2SIRT1SIRT3
SCHEMBL19519898 0.83 CTSL (0.59) CTSLCTSSSIRT2SIRT1SIRT3
SCHEMBL4787188 0.83 SIRT2 (0.76) CTSLCTSSSIRT2SIRT1SIRT3
SCHEMBL1199556 0.83 SIRT2 (0.74) CTSLCTSSSIRT2SIRT1SIRT3
SCHEMBL21357647 0.83 SIRT2 (0.76) CTSLCTSSSIRT2SIRT1SIRT3
SCHEMBL7689520 0.83 SIRT2 (0.76) CTSLCTSSSIRT2SIRT1SIRT3
SCHEMBL2963543 0.83 SIRT2 (0.76) CTSLCTSSSIRT2SIRT1SIRT3

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-8097750-B2 Highly enantioselective, converting aromatic and aliphatic aldehydes into optically active aryl and alkyl beta -amino acids BRANDEIS UNIVERSITY (US) 2012-01-17 US disclosed
US-20080228000-A1 Cinchona Alkaloid-Catalyzed Asymmetric Mannich Reactions BRANDEIS UNIVERSITY (US) 2008-09-18 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-20080228000-A1 Cinchona Alkaloid-Catalyzed Asymmetric Mannich Reactions MANBA, MAN2A1, ASNS CTSL 1323/4885CTSS 104/4885SIRT2 1013/4885

“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.