SCHEMBL7045900

SCHEMBL7045900

O=C(c1nc2ccccc2o1)C(CCNS(=O)(=O)CCC1CCCCC1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSS P25774 15/20 0.43
FAAH O00519 1/20 0.41
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CASP1 P29466 1/20 0.39
ELANE P08246 1/20 0.38
BMP1 P13497 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
SCHEMBL7045911 0.82 EPHX2 (0.47) CTSSFAAHELANE
SCHEMBL6465159 0.81 FAAH (0.44) CTSSFAAHCYP3A4CYP2C9
SCHEMBL6463787 0.80 CTSS (0.46) CTSSFAAHCYP3A4CYP2C9
SCHEMBL6062570 0.77 CTSS (0.43) CTSSCYP3A4CYP2C9
SCHEMBL6463790 0.76 CTSS (0.43) CTSSFAAHCYP3A4CYP2C9
SCHEMBL6062675 0.75 CTSS (0.42) CTSSFAAHCYP3A4CYP2C9
SCHEMBL6466351 0.74 FAAH (0.38) CTSSFAAHCYP3A4ELANE
SCHEMBL7045311 0.74 KMT2A (0.42) CTSS
SCHEMBL6461911 0.74 FAAH (0.42) CTSSFAAH
SCHEMBL7047970 0.74 KMT2A (0.43) CTSS

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 9/4885FAAH 479/4885CYP3A4 1183/4885

“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.