SCHEMBL7049552

SCHEMBL7049552

CCC(C)[C@H](NC(=O)c1cccc(CN)c1)C(=O)N[C@@H](CCc1ccccc1)C(=O)c1nc2ccccc2o1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSS P25774 13/20 0.44
CTSL P07711 2/20 0.44
CTSB P07858 2/20 0.44
CTSK P43235 2/20 0.44
LMNA P02545 3/20 0.42
PRSS8 Q16651 2/20 0.41
AGTR2 P50052 2/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40

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
SCHEMBL7138519 0.81 AGTR2 (0.44) CTSLAGTR2
Hydrochloric Acid SCHEMBL7132884 0.80 AGTR2 (0.43) CTSLAGTR2
SCHEMBL7045320 0.80 CTSS (0.64) CTSSCTSLCTSBCTSKPRSS8
SCHEMBL7136747 0.79 AGTR2 (0.42) CTSLLMNAAGTR2
SCHEMBL6471948 0.76 CTSS (0.50) CTSSCTSLCTSBCTSKPRSS8
SCHEMBL6465889 0.74 DAGLA (0.52) CTSSCTSLCTSBCTSKPRSS8
SCHEMBL6466589 0.73 DAGLA (0.56) CTSSCTSLCTSBCTSKPRSS8
SCHEMBL6466909 0.73 DAGLA (0.56) CTSSCTSLCTSBCTSKPRSS8
SCHEMBL6205823 0.73 CTSS (0.43) CTSSLMNACYP3A4CYP2C9
SCHEMBL6629760 0.72 FAAH (0.47) CTSSCTSLCTSBCTSKPRSS8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 CTSS 9/4885CTSL 18/4885CTSB 11/4885

“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.