SCHEMBL7043354

SCHEMBL7043354

O=C(NCC(C(=O)NCCC(C(=O)c1nc2ccccc2o1)c1ccccc1)S(=O)(=O)Cc1ccsc1)c1ccncc1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.39
CTSS P25774 8/20 0.37
GART P22102 1/20 0.36
RAB9A P51151 2/20 0.33
TP53 P04637 1/20 0.33
GAA P10253 1/20 0.33
NPC1 O15118 1/20 0.32
GRM5 P41594 1/20 0.32
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
ROCK2 O75116 1/20 0.31

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
SCHEMBL6468407 0.85 EPHX2 (0.38) EPHX2CTSSGARTRAB9ATP53
SCHEMBL6062750 0.85 EPHX2 (0.38) EPHX2CTSSGARTCYP3A4CYP2C9
SCHEMBL7183010 0.84 CTSS (0.37) CTSSCYP3A4CYP2C9
SCHEMBL7043377 0.83 NPC1 (0.36) CTSSGARTRAB9ATP53NPC1
SCHEMBL6465509 0.82 LMNA (0.46) EPHX2CTSSCYP3A4
SCHEMBL6464414 0.81 FAAH (0.38) CTSSGARTCYP3A4CYP2C9
SCHEMBL7044860 0.80 LMNA (0.44) EPHX2CTSSCYP3A4CYP2C9
SCHEMBL7049525 0.78 GART (0.38) CTSSGARTCYP3A4CYP2C9
SCHEMBL6468432 0.77 GART (0.34) EPHX2CTSSGARTRAB9ANPC1
SCHEMBL6465945 0.76 CTSS (0.33) EPHX2CTSSGARTCYP3A4CYP2C9

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 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.