SCHEMBL2113574

SCHEMBL2113574

COC(=O)C1CNC2CCN(C(=O)C(NC(=O)OC(C)(C)C)C3CCCCC3)C21

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 4/20 0.36
CTSL P07711 3/20 0.36
KLK5 Q9Y337 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
GAA P10253 1/20 0.32
CTSS P25774 2/20 0.32
CTSK P43235 2/20 0.32
EPHX1 P07099 2/20 0.32
ELANE P08246 1/20 0.31
DPP4 P27487 1/20 0.31
REN P00797 1/20 0.31
CTSV O60911 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
SCHEMBL2632095 1.00 AAK1 (0.36) AAK1CTSLKLK5HDAC4HDAC1
SCHEMBL2632142 0.85 ELANE (0.36) CTSLKLK5CTSKELANE
SCHEMBL2117956 0.85 XIAP (0.30)
SCHEMBL2117952 0.84 REN (0.33) REN
SCHEMBL2113515 0.82 CTSL (0.33) AAK1CTSLKLK5HDAC4HDAC1
SCHEMBL2622151 0.78 AAK1 (0.35) AAK1CTSLKLK5HDAC4HDAC1
SCHEMBL2117264 0.78 AAK1 (0.35) AAK1CTSLKLK5HDAC4HDAC1
SCHEMBL2632232 0.78 AAK1 (0.35) AAK1CTSLKLK5HDAC4HDAC1
SCHEMBL2113517 0.77 AAK1 (0.35) AAK1CTSLKLK5HDAC4HDAC1
SCHEMBL2622110 0.77 AAK1 (0.35) AAK1CTSLKLK5HDAC4HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2434889-B1 IAP INHIBITORS TETRALOGIC BIRINAPANT UK LTD (GB) 2016-03-09 EP 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

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 134/4885KLK5 2327/4885
US-20120094917-A1 IAP INHIBITORS XIAP, IAPP, BIRC5 AAK1 1640/4885CTSL 134/4885KLK5 2327/4885

“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.