SCHEMBL2622111

SCHEMBL2622111

CC(C)(C)OC(=O)N[C@H](C(=O)N1CC[C@@H]2[C@H]1[C@@H](C(=O)O)CN2S(C)(=O)=O)C1CCCCC1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.35
CTSL P07711 2/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
AAK1 Q2M2I8 1/20 0.33
ACE P12821 1/20 0.33
CTSS P25774 2/20 0.32
CTSK P43235 2/20 0.32
ITGB3 P05106 9/20 0.32
ITGA2B P08514 9/20 0.32
CTSV O60911 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
SCHEMBL2115882 1.00 BTK (0.35) BTKCTSLHDAC4HDAC1HDAC6
SCHEMBL13048217 1.00 BTK (0.35) BTKCTSLHDAC4HDAC1HDAC6
SCHEMBL2622110 0.92 AAK1 (0.35) CTSLHDAC4HDAC1HDAC6AAK1
SCHEMBL2113517 0.92 AAK1 (0.35) CTSLHDAC4HDAC1HDAC6AAK1
SCHEMBL13049348 0.86 AAK1 (0.33) CTSLHDAC4HDAC1HDAC6AAK1
SCHEMBL2113969 0.85
SCHEMBL2622099 0.85
SCHEMBL2117361 0.85 XIAP (0.42) CTSLCTSKGAA
SCHEMBL2622112 0.85 XIAP (0.42) CTSLCTSKGAA
SCHEMBL17577899 0.85 XIAP (0.42) CTSLCTSKGAA

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 7 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-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
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 BTK 4310/4885CTSL 134/4885HDAC4 2234/4885
US-20120094917-A1 IAP INHIBITORS XIAP, IAPP, BIRC5 BTK 4310/4885CTSL 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.