SCHEMBL6466324

SCHEMBL6466324

O=C(N[C@@H](CS(=O)(=O)Cc1ccccc1C(F)(F)F)C(=O)NC1(C(=O)c2nc3ccccc3o2)CCC1)C1CCOCC1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSS P25774 16/20 0.38
CTSL P07711 2/20 0.38
CTSK P43235 2/20 0.38
RBP4 P02753 1/20 0.35
CYP2C9 P11712 2/20 0.34
EPHX2 P34913 1/20 0.34
CYP3A4 P08684 1/20 0.33
CTSB P07858 1/20 0.33
PTPN1 P18031 1/20 0.33

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
SCHEMBL7045494 0.85 EPHX2 (0.39) CTSSCTSLCTSKRBP4CYP2C9
SCHEMBL6464516 0.82 CTSS (0.50) CTSSCTSLCTSKCYP2C9CYP3A4
SCHEMBL6063226 0.75 CTSS (0.46) CTSSCTSLCTSKCTSB
SCHEMBL6063230 0.75 CTSS (0.46) CTSSCTSLCTSKCTSB
SCHEMBL7043385 0.74 SCN9A (0.35) CTSSCTSKEPHX2CYP3A4
SCHEMBL7042180 0.73 MAPT (0.40) CTSSCTSLCTSKEPHX2CYP3A4
SCHEMBL6062446 0.69 CTSS (0.43) CTSSCTSLCTSKRBP4CYP2C9
SCHEMBL6464521 0.69 CTSS (0.38) CTSSCTSLCTSKRBP4CYP2C9
SCHEMBL5418131 0.68 CTSS (0.43) CTSSCTSLCTSKCYP2C9CYP3A4
SCHEMBL7046904 0.68 CTSS (0.45) CTSSCTSLCTSKCYP2C9CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1516877-A1 Amine derivatives as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2005-03-23 EP disclosed
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 18/4885CTSK 32/4885

“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.