SCHEMBL2622152

SCHEMBL2622152

CC(C)(C)OC(=O)N[C@H](C(=O)N1CC[C@@H]2[C@H]1C(C(=O)O)CN2C(=O)C1CC1)C1CCCCC1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.38
ITGB3 P05106 10/20 0.34
ITGA2B P08514 10/20 0.34
CTSL P07711 2/20 0.34
KMT2A Q03164 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
AAK1 Q2M2I8 1/20 0.34
CTSS P25774 2/20 0.33
CTSK P43235 2/20 0.33
CTSV O60911 1/20 0.33

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
SCHEMBL10284011 1.00 BTK (0.38) BTKITGB3ITGA2BCTSLKMT2A
SCHEMBL2113352 1.00 BTK (0.38) BTKITGB3ITGA2BCTSLKMT2A
SCHEMBL2632232 0.91 AAK1 (0.35) BTKITGB3ITGA2BCTSLHDAC4
SCHEMBL2117264 0.91 AAK1 (0.35) BTKITGB3ITGA2BCTSLHDAC4
SCHEMBL2622151 0.91 AAK1 (0.35) BTKITGB3ITGA2BCTSLHDAC4
SCHEMBL13049352 0.86 HDAC4 (0.33) BTKITGB3ITGA2BCTSLHDAC4
SCHEMBL13048217 0.84 BTK (0.35) BTKITGB3ITGA2BCTSLHDAC4
SCHEMBL2115882 0.84 BTK (0.35) BTKITGB3ITGA2BCTSLHDAC4
SCHEMBL2622111 0.84 BTK (0.35) BTKITGB3ITGA2BCTSLHDAC4
SCHEMBL13049917 0.82 CTSL (0.51) ITGB3ITGA2BCTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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-20120094917-A1 IAP INHIBITORS XIAP, IAPP, BIRC5 BTK 4310/4885ITGB3 3897/4885ITGA2B 3486/4885

“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.