SCHEMBL7045360

SCHEMBL7045360

CC(C)CN(C(=O)N[C@@H](CCc1ccccc1)C(O)c1nc2ccccc2o1)C(=O)OCc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 0.38
ATM Q13315 1/20 0.38
ELANE P08246 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
PRSS8 Q16651 1/20 0.35
XDH P47989 1/20 0.34
TOP2A P11388 1/20 0.34
TOP2B Q02880 1/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL7049041 0.95 ATM (0.38) CYP3A4ATMELANENPC1RAB9A
SCHEMBL7575216 0.89 FAAH (0.36) CYP3A4NPC1RAB9AXDH
SCHEMBL6467033 0.89 FAAH (0.36) CYP3A4NPC1RAB9AXDH
SCHEMBL7466136 0.86 FAAH (0.36) CYP3A4XDH
SCHEMBL6466197 0.86 FAAH (0.36) CYP3A4XDH
SCHEMBL7045498 0.82 PRSS8 (0.49) CYP3A4ELANEPRSS8XDH
SCHEMBL7049081 0.78 ATM (0.37) CYP3A4ATMELANETOP2ATOP2B
SCHEMBL7147621 0.77 HDAC3 (0.45) CYP3A4
SCHEMBL7046962 0.77 PRSS8 (0.49) CYP3A4ELANEPRSS8XDH
SCHEMBL6467283 0.77 MEN1 (0.38) NPC1RAB9AXDHMAPT

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 CYP3A4 1183/4885ATM 3419/4885ELANE 50/4885

“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.