SCHEMBL12299566

SCHEMBL12299566

C[C@@H](OC(C)(C)C)[C@H](NC(=O)[C@H](C)N(C)C(=O)OCc1ccccc1)C(=O)N1CC[C@@H]2[C@H]1[C@@H](c1c[nH]c3cc(F)ccc13)CN2C(=O)OCc1ccccc1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 1/20 0.33
CTSK P43235 3/20 0.33
CTSL P07711 1/20 0.33
CTSB P07858 1/20 0.33
CTSS P25774 1/20 0.33
DRD2 P14416 1/20 0.32
HTR2A P28223 1/20 0.32
HTR7 P34969 1/20 0.32
KCNH2 Q12809 1/20 0.32
PYGL P06737 1/20 0.32
SLC6A4 P31645 1/20 0.31
TMEM97 Q5BJF2 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
CCR5 P51681 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
SCHEMBL2441314 1.00 TGM2 (0.33) TGM2CTSKCTSLCTSBCTSS
SCHEMBL2444816 0.92 DRD2 (0.35) TGM2CTSKCTSLCTSBCTSS
SCHEMBL12299571 0.92 DRD2 (0.35) TGM2CTSKCTSLCTSBCTSS
SCHEMBL12329398 0.91 PYGL (0.35) TGM2DRD2HTR2AHTR7KCNH2
SCHEMBL2441780 0.89 CMA1 (0.39) TGM2CTSL
SCHEMBL12299562 0.89 CMA1 (0.39) TGM2CTSL
SCHEMBL2441313 0.88 CMA1 (0.34) TGM2CTSSPYGL
SCHEMBL2441316 0.85 TGM2 (0.33) TGM2CTSKCTSLCTSBCTSS
SCHEMBL2440599 0.85 DRD2 (0.35) DRD2HTR2AHTR7KCNH2
SCHEMBL12299565 0.85 DRD2 (0.35) DRD2HTR2AHTR7KCNH2

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-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
WO-2010033531-A1 IAP INHIBITORS TETRALOGIC PHARMACEUTICALS CORP. (US) 2010-03-25 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-20110237517-A1 IAP INHIBITORS XIAP, IAPP, BIRC5 TGM2 2702/4885CTSK 320/4885CTSL 134/4885

“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.