SCHEMBL2632232

SCHEMBL2632232

COC(=O)[C@H]1CN(C(=O)C2CC2)[C@@H]2CCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C3CCCCC3)[C@H]12

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 1/20 0.35
CTSL P07711 3/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ITGB3 P05106 9/20 0.32
ITGA2B P08514 9/20 0.32
KLK5 Q9Y337 1/20 0.32
HPGD P15428 1/20 0.31
BTK Q06187 1/20 0.31
CTSV O60911 1/20 0.31
CTSS P25774 1/20 0.31
CTSK P43235 1/20 0.31
GAA P10253 1/20 0.31

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
SCHEMBL2622151 1.00 AAK1 (0.35) AAK1CTSLHDAC4HDAC1HDAC6
SCHEMBL2117264 1.00 AAK1 (0.35) AAK1CTSLHDAC4HDAC1HDAC6
SCHEMBL10284011 0.91 BTK (0.38) AAK1CTSLHDAC4HDAC1HDAC6
SCHEMBL2113352 0.91 BTK (0.38) AAK1CTSLHDAC4HDAC1HDAC6
SCHEMBL2622152 0.91 BTK (0.38) AAK1CTSLHDAC4HDAC1HDAC6
SCHEMBL13049352 0.85 HDAC4 (0.33) AAK1CTSLHDAC4HDAC1HDAC6
SCHEMBL2113517 0.84 AAK1 (0.35) AAK1CTSLHDAC4HDAC1HDAC6
SCHEMBL2622110 0.84 AAK1 (0.35) AAK1CTSLHDAC4HDAC1HDAC6
SCHEMBL2622093 0.81 CTSL (0.52) CTSLITGB3ITGA2BKLK5
SCHEMBL2115422 0.81 CTSL (0.52) CTSLITGB3ITGA2BKLK5

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 5 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-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
WO-2010138496-A1 IAP INHIBITORS TETRALOGIC PHARMACEUTICALS CORP. (US) 2010-12-02 WO 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 AAK1 1640/4885CTSL 134/4885HDAC4 2234/4885
US-20120094917-A1 IAP INHIBITORS XIAP, IAPP, BIRC5 AAK1 1640/4885CTSL 134/4885HDAC4 2234/4885

“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.