SCHEMBL2113515

SCHEMBL2113515

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

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSL P07711 2/20 0.33
AAK1 Q2M2I8 2/20 0.33
KLK5 Q9Y337 1/20 0.31
HDAC4 P56524 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
CTSS P25774 1/20 0.30
CTSK P43235 1/20 0.30
EPHX1 P07099 1/20 0.30

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 0.82 AAK1 (0.36) CTSLAAK1KLK5HDAC4HDAC1
SCHEMBL2113574 0.82 AAK1 (0.36) CTSLAAK1KLK5HDAC4HDAC1
SCHEMBL2632142 0.70 ELANE (0.36) CTSLKLK5CTSK
SCHEMBL2117952 0.69 REN (0.33)
SCHEMBL2115282 0.69 XIAP (0.40)
SCHEMBL2117956 0.68 XIAP (0.30)
SCHEMBL2622110 0.68 AAK1 (0.35) CTSLAAK1KLK5HDAC4HDAC1
SCHEMBL2113517 0.68 AAK1 (0.35) CTSLAAK1KLK5HDAC4HDAC1
SCHEMBL10072209 0.68 EPHX1 (0.46) CTSLAAK1HDAC4HDAC1HDAC6
SCHEMBL23845229 0.67 KLK5 (0.49) CTSLAAK1KLK5HDAC4HDAC1

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