SCHEMBL2114665

SCHEMBL2114665

CC(C)(C)OC(=O)N1CC[C@H](OS(C)(=O)=O)[C@H]1[C@H](CNC(=O)OCc1ccccc1)c1c[nH]c2cc(F)ccc12

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 2/20 0.39
P2RX7 Q99572 1/20 0.37
ABCB1 P08183 1/20 0.36
SYK P43405 1/20 0.36
LMNA P02545 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
MAPT P10636 1/20 0.34
GPR119 Q8TDV5 1/20 0.34
BACE1 P56817 1/20 0.34
BACE2 Q9Y5Z0 1/20 0.34
GHSR Q92847 3/20 0.34
KLK7 P49862 2/20 0.34
RORC P51449 2/20 0.34
USP2 O75604 1/20 0.33
ALDH1A1 P00352 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
SCHEMBL2437013 0.92 KLK7 (0.40) ABCB1SYKLMNASMN1; SMN2MAPT
SCHEMBL2115303 0.90 TGM2 (0.41) TGM2P2RX7ABCB1SYKLMNA
SCHEMBL2117903 0.89 TGM2 (0.41) TGM2P2RX7ABCB1SYKLMNA
SCHEMBL2443386 0.85 TGM2 (0.38) TGM2P2RX7ABCB1SYKLMNA
SCHEMBL12299670 0.85 TGM2 (0.38) TGM2P2RX7ABCB1SYKLMNA
SCHEMBL2443387 0.85 TGM2 (0.38) TGM2P2RX7ABCB1SYKLMNA
SCHEMBL12299698 0.85 TGM2 (0.38) TGM2P2RX7ABCB1SYKLMNA
SCHEMBL2443278 0.85 TGM2 (0.38) TGM2P2RX7ABCB1SYKLMNA
SCHEMBL12329381 0.84 TGM2 (0.41) TGM2P2RX7ABCB1SYKLMNA
SCHEMBL12329386 0.84 TGM2 (0.41) TGM2P2RX7ABCB1SYKLMNA

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 18 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-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-8415486-B2 IAP inhibitors TETRALOGIC PHARMACEUTICALS CORP. (US) 2013-04-09 US disclosed
US-8415486-B2 IAP inhibitors TETRALOGIC PHARMACEUTICALS CORP. (US) 2013-04-09 US disclosed
US-8415486-B2 IAP inhibitors TETRALOGIC PHARMACEUTICALS CORP. (US) 2013-04-09 US disclosed
US-8399683-B2 IAP inhibitors TETRALOGIC PHARMACEUTICALS (US) 2013-03-19 US disclosed
US-8399683-B2 IAP inhibitors TETRALOGIC PHARMACEUTICALS (US) 2013-03-19 US disclosed
US-8399683-B2 IAP inhibitors TETRALOGIC PHARMACEUTICALS (US) 2013-03-19 US disclosed
US-20120135990-A1 IAP INHIBITORS TETRALOGIC PHARMACEUTICALS CORP. (US) 2012-05-31 US disclosed
US-20120135990-A1 IAP INHIBITORS TETRALOGIC PHARMACEUTICALS CORP. (US) 2012-05-31 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
US-20110237517-A1 IAP INHIBITORS TETRALOGIC PHARMACEUTICALS CORP. 2011-09-29 US disclosed
US-20110237517-A1 IAP INHIBITORS TETRALOGIC PHARMACEUTICALS CORP. 2011-09-29 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 (4 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-20110237517-A1 IAP INHIBITORS XIAP, IAPP, BIRC5 TGM2 2702/4885P2RX7 1941/4885ABCB1 393/4885
US-20120135990-A1 IAP INHIBITORS XIAP, IAPP, BIRC5 TGM2 2702/4885P2RX7 1941/4885ABCB1 393/4885
US-20130274278-A1 IAP INHIBITORS XIAP, IAPP, BIRC5 TGM2 2702/4885P2RX7 1941/4885ABCB1 393/4885
US-20120094917-A1 IAP INHIBITORS XIAP, IAPP, BIRC5 TGM2 2702/4885P2RX7 1941/4885ABCB1 393/4885

“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.