SCHEMBL2622112

SCHEMBL2622112

C[C@@H](NC(=O)[C@H]1CN(S(C)(=O)=O)[C@@H]2CCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C3CCCCC3)[C@H]12)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
XIAP P98170 1/20 0.42
BIRC3 Q13489 1/20 0.42
ALDH1A1 P00352 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KCNQ3 O43525 1/20 0.38
KCNQ2 O43526 1/20 0.38
CTSL P07711 1/20 0.36
CMA1 P23946 4/20 0.36
TP53 P04637 1/20 0.36
CTSK P43235 2/20 0.36
EPHX1 P07099 2/20 0.36
LMNA P02545 1/20 0.36
ELANE P08246 1/20 0.36
RECQL P46063 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
GAA P10253 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL2117361 1.00 XIAP (0.42) XIAPBIRC3ALDH1A1SMN1; SMN2KCNQ3
SCHEMBL17577899 1.00 XIAP (0.42) XIAPBIRC3ALDH1A1SMN1; SMN2KCNQ3
SCHEMBL2115200 0.86 XIAP (0.58) XIAPBIRC3
SCHEMBL2632238 0.86 XIAP (0.58) XIAPBIRC3
SCHEMBL2632168 0.86 XIAP (0.58) XIAPBIRC3
SCHEMBL13048217 0.85 BTK (0.35) CTSLCTSKGAA
SCHEMBL2115882 0.85 BTK (0.35) CTSLCTSKGAA
SCHEMBL2622111 0.85 BTK (0.35) CTSLCTSKGAA
SCHEMBL2622113 0.85 ALDH1A1 (0.43) XIAPBIRC3ALDH1A1SMN1; SMN2KCNQ3
SCHEMBL2115497 0.85 ALDH1A1 (0.43) XIAPBIRC3ALDH1A1SMN1; SMN2KCNQ3

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 8 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-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 XIAP 1/4885BIRC3 5/4885ALDH1A1 4750/4885
US-20120094917-A1 IAP INHIBITORS XIAP, IAPP, BIRC5 XIAP 1/4885BIRC3 5/4885ALDH1A1 4750/4885

“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.