SCHEMBL7042871

SCHEMBL7042871

CC(=O)N[C@@H](Cc1ccccc1C(F)(F)F)C(=O)N[C@@H](CCc1ccccc1)C(O)c1nc2ccccc2o1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 3/20 0.43
SRC P12931 2/20 0.42
ZAP70 P43403 2/20 0.42
SCN9A Q15858 12/20 0.41
SCN10A Q9Y5Y9 7/20 0.41
CYP3A4 P08684 3/20 0.40
CTSL P07711 1/20 0.38
PTPN2 P17706 2/20 0.37
MMP12 P39900 1/20 0.37
EPHX2 P34913 1/20 0.36

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
SCHEMBL7049727 0.83 CTSS (0.46) PTPN1SRCZAP70SCN9ASCN10A
SCHEMBL6467441 0.83 PTPN1 (0.45) PTPN1PTPN2EPHX2
SCHEMBL7044867 0.79 CTSS (0.48) CTSL
SCHEMBL7109606 0.79 CTSS (0.48) CTSL
SCHEMBL6630288 0.75 FAAH (0.38) PTPN1CYP3A4PTPN2
SCHEMBL6698500 0.75 FAAH (0.38) PTPN1CYP3A4PTPN2
SCHEMBL6698496 0.75 FAAH (0.38) PTPN1CYP3A4PTPN2
SCHEMBL6462287 0.74 FAAH (0.44) CYP3A4
SCHEMBL5731226 0.74 CTSK (0.46) SCN9AEPHX2
SCHEMBL5731227 0.74 CTSK (0.46) SCN9AEPHX2

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 PTPN1 1888/4885SRC 949/4885ZAP70 4211/4885

“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.