SCHEMBL2113432

SCHEMBL2113432

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

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTSL P07711 2/20 0.40
HTR2C P28335 1/20 0.36
SLC6A4 P31645 1/20 0.36
CCR5 P51681 1/20 0.36
CTSB P07858 1/20 0.36
CTSS P25774 1/20 0.36
CTSK P43235 1/20 0.36
REN P00797 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.35
KMT2A Q03164 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
XIAP P98170 1/20 0.35
BIRC3 Q13489 1/20 0.35
BIRC2 Q13490 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
SCHEMBL2622097 1.00 CTSL (0.40) CTSLHTR2CSLC6A4CCR5CTSB
SCHEMBL13048815 0.94 CTSL (0.39) CTSLHTR2CSLC6A4CCR5CTSB
SCHEMBL2622149 0.92 HSD17B10 (0.39) CTSLHTR2CSLC6A4CCR5CTSB
SCHEMBL2117031 0.92 HSD17B10 (0.39) CTSLHTR2CSLC6A4CCR5CTSB
SCHEMBL12299754 0.89 CTSL (0.42) CTSLHTR2CSLC6A4CCR5L3MBTL1
SCHEMBL2439991 0.89 CTSL (0.42) CTSLHTR2CSLC6A4CCR5L3MBTL1
SCHEMBL17577847 0.89 CTSL (0.38) CTSLHTR2CSLC6A4CCR5CTSB
SCHEMBL2622093 0.88 CTSL (0.52) CTSLRENMAPK1
SCHEMBL2115422 0.88 CTSL (0.52) CTSLRENMAPK1
SCHEMBL2113431 0.86 CTSL (0.40) CTSLRENXIAPBIRC3

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 134/4885HTR2C 4784/4885SLC6A4 4458/4885
US-20120094917-A1 IAP INHIBITORS XIAP, IAPP, BIRC5 CTSL 134/4885HTR2C 4784/4885SLC6A4 4458/4885

“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.