SCHEMBL9611272

SCHEMBL9611272

CN(C(=O)OCc1ccccc1)[C@@H](CF)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 2/20 0.50
CTSK P43235 2/20 0.47
ITGB3 P05106 2/20 0.47
ITGA2B P08514 2/20 0.47
CTSL P07711 1/20 0.47
CTSB P07858 1/20 0.47
CTSS P25774 1/20 0.47
ALDH1A1 P00352 4/20 0.47
FOLH1 Q04609 2/20 0.45
MAPT P10636 1/20 0.44
HPGD P15428 1/20 0.44
MAPK1 P28482 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A3 Q01959 1/20 0.42
KMT2A Q03164 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
SIGMAR1 Q99720 1/20 0.41
P2RX7 Q99572 1/20 0.41

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
SCHEMBL8617606 0.87 ABCB1 (0.51) ABCB1CTSKITGB3ITGA2BCTSL
SCHEMBL13244660 0.87 ABCB1 (0.51) ABCB1CTSKITGB3ITGA2BCTSL
SCHEMBL30278712 0.87 ABCB1 (0.51) ABCB1CTSKITGB3ITGA2BCTSL
SCHEMBL8067076 0.87 ITGB3 (0.59) ABCB1CTSKITGB3ITGA2BCTSL
SCHEMBL2494968 0.87 ITGB3 (0.59) ABCB1CTSKITGB3ITGA2BCTSL
SCHEMBL2968658 0.87 ITGB3 (0.59) ABCB1CTSKITGB3ITGA2BCTSL
SCHEMBL31739224 0.87 ITGB3 (0.59) ABCB1CTSKITGB3ITGA2BCTSL
SCHEMBL6370553 0.87 ABCB1 (0.51) ABCB1CTSKITGB3ITGA2BCTSL
SCHEMBL21874257 0.87 ABCB1 (0.51) ABCB1CTSKITGB3ITGA2BCTSL
SCHEMBL3991870 0.86 ITGB3 (0.48) ABCB1CTSKITGB3ITGA2BCTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
WO-2011068926-A1 IAP INHIBITORS TETRALOGIC PHARMACEUTICALS CORP. (US) 2011-06-09 WO disclosed
WO-2010138666-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 (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-20120135990-A1 IAP INHIBITORS XIAP, IAPP, BIRC5 ABCB1 393/4885CTSK 320/4885ITGB3 3897/4885

“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.