SCHEMBL6468407

SCHEMBL6468407

Cc1cccc(CS(=O)(=O)C(CNC(=O)c2ccncc2)C(=O)NCCC(C(=O)c2nc3ccccc3o2)c2ccccc2)n1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.38
CTSS P25774 13/20 0.38
GART P22102 1/20 0.37
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
TP53 P04637 2/20 0.32
POLB P06746 1/20 0.32

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
SCHEMBL7043377 0.90 NPC1 (0.36) CTSSGARTNPC1RAB9ACYP3A4
SCHEMBL7043354 0.85 EPHX2 (0.39) EPHX2CTSSGARTNPC1RAB9A
SCHEMBL7179327 0.84 LMNA (0.38) CTSSCYP3A4CYP2C9
SCHEMBL6062750 0.83 EPHX2 (0.38) EPHX2CTSSGARTCYP3A4CYP2C9
SCHEMBL7042145 0.83 CTSS (0.40) EPHX2CTSSCYP3A4CYP2C9
SCHEMBL6468432 0.82 GART (0.34) EPHX2CTSSGARTNPC1RAB9A
SCHEMBL6464414 0.80 FAAH (0.38) CTSSGARTCYP3A4CYP2C9
SCHEMBL7049143 0.80 HTT (0.34) CTSSRAB9ACYP3A4CYP2C9
SCHEMBL6465509 0.78 LMNA (0.46) EPHX2CTSSCYP3A4
SCHEMBL7044860 0.76 LMNA (0.44) EPHX2CTSSCYP3A4CYP2C9POLB

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 6 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 claimed
US-20030232864-A1 Novel Compounds and compositions as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2003-12-18 US claimed
US-6576630-B1 Alkanoyl substituted benzooxazoles or naphthooxazoles AXYS PHARMACEUTICALS, INC. 2003-06-10 US claimed
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 EPHX2 696/4885CTSS 9/4885GART 2659/4885

“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.