SCHEMBL2113431

SCHEMBL2113431

COC(=O)C1CN(C(=O)OCc2ccccc2)C2CCN(C(=O)C(NC(=O)C(C)NCC(=O)OC(C)(C)C)C3CCCCC3)C12

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.40
REN P00797 2/20 0.40
HTT P42858 1/20 0.35
ELANE P08246 1/20 0.35
XIAP P98170 1/20 0.35
BIRC3 Q13489 1/20 0.35

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
SCHEMBL2117030 0.92 HSD17B10 (0.39) CTSLRENXIAPBIRC3
SCHEMBL2439989 0.89 CTSL (0.42) CTSLRENXIAPBIRC3
SCHEMBL2115422 0.88 CTSL (0.52) CTSLRENELANE
SCHEMBL2622093 0.88 CTSL (0.52) CTSLRENELANE
SCHEMBL2113432 0.86 CTSL (0.40) CTSLRENXIAPBIRC3
SCHEMBL2622097 0.86 CTSL (0.40) CTSLRENXIAPBIRC3
SCHEMBL13049917 0.81 CTSL (0.51) CTSLELANE
SCHEMBL2115173 0.81 REN (0.32) RENXIAPBIRC3
SCHEMBL17577890 0.81 CTSL (0.51) CTSLELANE
SCHEMBL13048815 0.80 CTSL (0.39) CTSLREN

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
US-20130274278-A1 IAP INHIBITORS TETRALOGIC PHARM CORP (US) 2013-10-17 US disclosed
US-8481495-B2 IAP inhibitors TETRALOGIC PHARMACEUTICALS CORPORATION (US) 2013-07-09 US disclosed
US-20120094917-A1 IAP INHIBITORS TETRALOGIC PHARMACEUTICALS CORP (US) 2012-04-19 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 (2 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-20130274278-A1 IAP INHIBITORS XIAP, IAPP, BIRC5 CTSL 134/4885REN 887/4885HTT 786/4885
US-20120094917-A1 IAP INHIBITORS XIAP, IAPP, BIRC5 CTSL 134/4885REN 887/4885HTT 786/4885

“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.