SCHEMBL17446707

SCHEMBL17446707

CCC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](CCC(=O)OCc1ccccc1)C(=O)OC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSD P07339 4/20 0.51
REN P00797 1/20 0.51
CTSB P07858 3/20 0.51
CTSS P25774 2/20 0.51
CTSL P07711 1/20 0.51
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
LMNA P02545 1/20 0.49
CTSK P43235 3/20 0.47
SYK P43405 1/20 0.47
PSMB5 P28074 1/20 0.46
CASP3 P42574 3/20 0.46
CASP1 P29466 1/20 0.46
CASP4 P49662 1/20 0.46
CASP5 P51878 1/20 0.46
CASP9 P55211 1/20 0.46
CASP6 P55212 1/20 0.46
CASP8 Q14790 1/20 0.46
CASP10 Q92851 1/20 0.46
CA2 P00918 1/20 0.45

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
SCHEMBL11598830 0.92 CTSS (0.50) CTSDRENCTSBCTSSCTSL
SCHEMBL17446798 0.91 KLK5 (0.48) CTSDRENMEN1KMT2APSENEN
SCHEMBL19177079 0.87 MEN1 (0.56) RENCTSBCTSSCTSLMEN1
SCHEMBL17534514 0.87 KLK5 (0.49) RENCTSSMEN1KMT2ACTSK
SCHEMBL17534512 0.87 KLK5 (0.49) RENCTSSMEN1KMT2ACTSK
SCHEMBL2301376 0.87 PPARA (0.54) CTSBCTSSCTSLMEN1KMT2A
SCHEMBL17446701 0.87 PPARA (0.54) CTSBCTSSCTSLMEN1KMT2A
SCHEMBL19020373 0.87 PPARA (0.54) CTSBCTSSCTSLMEN1KMT2A
SCHEMBL10799495 0.86 MEN1 (0.46) MEN1KMT2ACASP3CASP1CASP9
SCHEMBL10799502 0.86 MEN1 (0.46) MEN1KMT2ACASP3CASP1CASP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170210778-A1 NOVEL COMPOUNDS INVIVOGEN SAS (FR) 2017-07-27 US disclosed
WO-2016008946-A1 NOVEL COMPOUNDS THE PROVOST, FELLOWS, FOUNDATION SCHOLARS, AND THE OTHER MEMBERS OF BOARD, OF THE COLLEGE OF THE HOLY AND UNDIVIDED TRINITY OF QUEEN ELIZABETH, NEAR DUBLIN (IE) 2016-01-21 WO disclosed
EP-2975046-A1 Novel compounds The Provost, Fellows, Foundation Scholars, and The Other Members of Board, of The College of The Holy and Undivided Trinity of Queen Elizabeth (IE) 2016-01-20 EP 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-20170210778-A1 NOVEL COMPOUNDS F12, C1R, F11 CTSD 1603/4885REN 85/4885CTSB 1956/4885

“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.