SCHEMBL6465941

SCHEMBL6465941

CC(C)CCN(C(=O)N[C@@H](CCc1ccccc1)C(=O)c1ccccn1)C(=O)OCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSL P07711 4/20 0.40
CTSB P07858 1/20 0.40
CTSS P25774 1/20 0.40
PKM P14618 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
KCNA5 P22460 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38
CTSD P07339 1/20 0.38
PSMB5 P28074 1/20 0.37
TGM2 P21980 1/20 0.37
ACACB O00763 3/20 0.36
ACACA Q13085 3/20 0.36
FOLH1 Q04609 1/20 0.36

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
SCHEMBL7130607 0.83 SMN1; SMN2 (0.42) CTSLCTSBSMN1; SMN2
SCHEMBL7137549 0.80 CASP1 (0.43) CTSLCTSBSMN1; SMN2
SCHEMBL7043359 0.80 MMP2 (0.42) CTSLCTSB
SCHEMBL7046962 0.79 PRSS8 (0.49) CTSLCTSBCTSS
SCHEMBL7137505 0.79 SMN1; SMN2 (0.41) CTSLCTSBSMN1; SMN2
SCHEMBL7608043 0.79 TAS1R3 (0.45) SMN1; SMN2MAPT
SCHEMBL6462122 0.78 CTSL (0.59) CTSLCTSBCTSS
SCHEMBL7133729 0.77 SMN1; SMN2 (0.42) CTSLCTSBSMN1; SMN2
SCHEMBL6181961 0.76 CTSC (0.49) CTSLCTSBCTSS
SCHEMBL7138555 0.75 MME (0.42) CTSLCTSBCTSSFOLH1

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
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

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.