SCHEMBL7042898

SCHEMBL7042898

O=C(CC1CC2CCC1C2)N[C@@H](CCc1ccccc1)C(=O)c1nc2ccccc2o1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.49
CTSS P25774 12/20 0.45
CTSL P07711 2/20 0.45
CTSB P07858 2/20 0.45
CTSK P43235 2/20 0.45
PRSS8 Q16651 2/20 0.45
FAAH O00519 1/20 0.42
CES1 P23141 1/20 0.42
DAGLA Q9Y4D2 1/20 0.42
CMA1 P23946 2/20 0.42
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
HPGD P15428 1/20 0.41

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
SCHEMBL6461909 0.83 EPHX2 (0.49) CTSSCTSLCTSBCTSKPRSS8
SCHEMBL6472487 0.82 ALDH1A1 (0.49) ALDH1A1FAAHCES1DAGLACYP3A4
SCHEMBL7042901 0.81 HPGD (0.43) ALDH1A1CTSSCYP3A4CYP2C9HPGD
SCHEMBL6466589 0.80 DAGLA (0.56) CTSSCTSLCTSBCTSKPRSS8
SCHEMBL6466909 0.80 DAGLA (0.56) CTSSCTSLCTSBCTSKPRSS8
SCHEMBL6464884 0.78 CTSS (0.49) CTSSCTSLCTSBCTSKPRSS8
SCHEMBL6465141 0.78 CTSS (0.48) CTSSCTSLCTSBCTSKPRSS8
SCHEMBL6468629 0.78 CTSS (0.48) CTSSCTSLCTSBCTSKPRSS8
SCHEMBL6463419 0.78 CTSS (0.48) CTSSCTSLCTSBCTSKPRSS8
SCHEMBL6465889 0.77 DAGLA (0.52) 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 ALDH1A1 3027/4885CTSS 9/4885CTSL 18/4885

“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.