SCHEMBL6464599

SCHEMBL6464599

CC(C)CC(NC(=O)OCc1ccccc1)C(=O)NC(CCc1ccccc1)C(=O)c1cc2ccccc2[nH]1

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSL P07711 8/20 0.56
CTSB P07858 3/20 0.56
CTSS P25774 3/20 0.55
CTSK P43235 6/20 0.54
PTGER4 P35408 1/20 0.52
TAS1R3 Q7RTX0 1/20 0.52
TAS1R1 Q7RTX1 1/20 0.52
CAPN1 P07384 1/20 0.51

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
SCHEMBL6465007 0.82 CTSL (0.58) CTSLCTSBCTSSCTSKTAS1R3
SCHEMBL6063613 0.82 CTSL (0.54) CTSLCTSBCTSSCTSKTAS1R3
SCHEMBL7796791 0.80 CTSL (0.67) CTSLCTSBCTSSCTSKCAPN1
SCHEMBL6062662 0.79 CTSL (0.54) CTSLCTSBCTSSCTSKCAPN1
SCHEMBL7330463 0.78 CTSL (0.67) CTSLCTSBCTSSCTSKCAPN1
SCHEMBL6462122 0.78 CTSL (0.59) CTSLCTSBCTSSCTSKCAPN1
SCHEMBL7049064 0.78 CTSL (0.55) CTSLCTSBCTSSCTSKCAPN1
SCHEMBL7768345 0.77 CTSL (0.63) CTSLCTSBCTSSCTSKCAPN1
SCHEMBL7136272 0.77 CTSL (0.63) CTSLCTSBCTSSCTSKCAPN1
SCHEMBL7764593 0.77 CTSL (0.65) CTSLCTSBCTSSCTSKCAPN1

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
EP-1516877-A1 Amine derivatives as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2005-03-23 EP disclosed
US-20030232864-A1 Novel Compounds and compositions as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2003-12-18 US disclosed
US-6576630-B1 Alkanoyl substituted benzooxazoles or naphthooxazoles AXYS PHARMACEUTICALS, INC. 2003-06-10 US disclosed
EP-1161422-A1 AMINE DERIVATIVES AS PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2001-12-12 EP disclosed
WO-2000055144-A1 AMINE DERIVATIVES AS PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2000-09-21 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-20030232864-A1 Novel Compounds and compositions as protease inhibitors SERPINB1, CTRL, CTSZ CTSL 18/4885CTSB 11/4885CTSS 9/4885

“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.