SCHEMBL7042850

SCHEMBL7042850

CCC(C)C(NC(=O)OCc1ccccc1)C(C(CCc1ccccc1)C(=O)c1nc2ccccc2o1)S(N)(=O)=O

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PRSS8 Q16651 2/20 0.46
ELANE P08246 2/20 0.42
CA1 P00915 1/20 0.40
ATM Q13315 1/20 0.39
CTSS P25774 8/20 0.39
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CA2 P00918 1/20 0.38
CA5A P35218 1/20 0.38
CTSL P07711 1/20 0.38
CTSB P07858 1/20 0.38
CTSK P43235 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
SCHEMBL6062828 0.80 PRSS8 (0.43) PRSS8ELANECA1ATMCTSS
SCHEMBL7042854 0.78 PRSS8 (0.49) PRSS8ELANECTSSCYP3A4CYP2C9
SCHEMBL7045318 0.77 CTSS (0.45) PRSS8CTSSCYP3A4CYP2C9CTSL
SCHEMBL7415173 0.74 PRSS8 (0.41) PRSS8ELANECA1ATMCTSS
SCHEMBL7415176 0.73 ELANE (0.44) PRSS8ELANEATMCTSSCYP3A4
SCHEMBL7045289 0.71 PRSS8 (0.45) PRSS8ELANECA1ATMCTSS
SCHEMBL7136742 0.71 PORCN (0.40) CA1CTSSCYP3A4CA2CTSL
SCHEMBL6466347 0.69 CTSK (0.58) CTSSCTSLCTSBCTSK
SCHEMBL6465885 0.69 XDH (0.47) PRSS8ELANECTSSCTSLCTSB
SCHEMBL7046460 0.69 PRSS8 (0.47) PRSS8ELANECTSSCYP3A4CYP2C9

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 50/4885CA1 325/4885

“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.