SCHEMBL2437013

SCHEMBL2437013

CC(C)(C)OC(=O)N1CC[C@H](OS(C)(=O)=O)[C@H]1[C@@H](CNC(=O)OCc1ccccc1)c1c[nH]c2ccccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KLK7 P49862 2/20 0.40
SYK P43405 1/20 0.39
ABCB1 P08183 1/20 0.39
TACR1 P25103 3/20 0.37
KLK5 Q9Y337 1/20 0.37
CCKAR P32238 1/20 0.36
CASP1 P29466 1/20 0.36
MAPT P10636 3/20 0.35
ALDH1A1 P00352 2/20 0.35
LMNA P02545 2/20 0.35
CYP1A2 P05177 2/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2D6 P10635 2/20 0.35
CYP2C9 P11712 2/20 0.35
CYP2C19 P33261 2/20 0.35
HTT P42858 2/20 0.35
TSHR P16473 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
SSTR2 P30874 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
SCHEMBL2114665 0.92 TGM2 (0.39) KLK7SYKABCB1MAPTALDH1A1
SCHEMBL2440589 0.89 ABCB1 (0.42) KLK7SYKABCB1TACR1CASP1
SCHEMBL13448819 0.89 ABCB1 (0.42) KLK7SYKABCB1TACR1CASP1
SCHEMBL2439337 0.88 ABCB1 (0.40) KLK7SYKABCB1TACR1KLK5
SCHEMBL2441397 0.84 HTR2A (0.38) SSTR2
SCHEMBL2438293 0.84 HTR2A (0.38) SSTR2
SCHEMBL2437115 0.81 MAPT (0.39) MAPTALDH1A1GAA
SCHEMBL12299497 0.81 MAPT (0.39) MAPTALDH1A1GAA
SCHEMBL2115303 0.81 TGM2 (0.41) SYKABCB1MAPTALDH1A1LMNA
SCHEMBL2117903 0.80 TGM2 (0.41) KLK7SYKABCB1MAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 (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-20110237517-A1 IAP INHIBITORS XIAP, IAPP, BIRC5 KLK7 2479/4885SYK 4773/4885ABCB1 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.