SCHEMBL7045498

SCHEMBL7045498

CC(C)CN(C(=O)N[C@@H](CCc1ccccc1)C(=O)c1nc2ccccc2o1)C(=O)OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PRSS8 Q16651 2/20 0.49
ELANE P08246 2/20 0.44
CTSS P25774 11/20 0.43
CTSL P07711 2/20 0.43
CTSB P07858 2/20 0.43
CTSK P43235 2/20 0.43
FAAH O00519 1/20 0.42
CES1 P23141 1/20 0.42
DAGLA Q9Y4D2 1/20 0.42
XDH P47989 2/20 0.40
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38

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
SCHEMBL7046962 0.95 PRSS8 (0.49) PRSS8ELANECTSSCTSLCTSB
SCHEMBL7046460 0.93 PRSS8 (0.47) PRSS8ELANECTSSCTSLCTSB
SCHEMBL6467558 0.89 FAAH (0.46) PRSS8CTSSCTSLCTSBCTSK
SCHEMBL6475526 0.86 FAAH (0.46) PRSS8CTSSCTSLCTSBCTSK
SCHEMBL7045360 0.82 CYP3A4 (0.38) PRSS8ELANEXDHCYP3A4
SCHEMBL7043359 0.80 MMP2 (0.42) CTSLCTSBCTSKCES1CYP3A4
SCHEMBL6465889 0.80 DAGLA (0.52) PRSS8CTSSCTSLCTSBCTSK
SCHEMBL7133729 0.79 SMN1; SMN2 (0.42) CTSLCTSBCTSK
SCHEMBL7049751 0.79 FAAH (0.46) PRSS8CTSSCTSLCTSBCTSK
SCHEMBL7608043 0.79 TAS1R3 (0.45) ELANE

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 PRSS8 33/4885ELANE 50/4885CTSS 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.