SCHEMBL7042863

SCHEMBL7042863

CC(CCNC(=O)OCc1ccccc1)CC(=O)NCC(O)(CCc1ccccc1)c1nc(C(=O)NCc2ccncc2)co1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 6/20 0.37
CYP3A4 P08684 3/20 0.35
MAPT P10636 2/20 0.35
TSHR P16473 1/20 0.35
EPHX1 P07099 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
NAMPT P43490 1/20 0.33
ALDH1A1 P00352 1/20 0.33
SLC1A3 P43003 1/20 0.33
SLC1A1 P43005 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
SCHEMBL7042125 0.93 L3MBTL1 (0.39) KCNA5CYP3A4TSHREPHX1SMN1; SMN2
SCHEMBL7046903 0.92 TBXA2R (0.35) KCNA5SMN1; SMN2ALDH1A1
SCHEMBL7049145 0.90 KCNA5 (0.38) KCNA5CYP3A4MAPTTSHRSMN1; SMN2
SCHEMBL7185049 0.90 MEN1 (0.35) KCNA5MAPTALDH1A1
SCHEMBL7044814 0.90 SGMS2 (0.37) KCNA5CYP3A4MAPTTSHRSMN1; SMN2
SCHEMBL7045973 0.89 PSMB5 (0.40) KCNA5SMN1; SMN2ALDH1A1
SCHEMBL7046404 0.87 MAPT (0.35) KCNA5MAPTALDH1A1SLC1A3SLC1A1
SCHEMBL7045323 0.81 MGLL (0.36) SMN1; SMN2
SCHEMBL6465152 0.80 MAPT (0.39) CYP3A4MAPTSMN1; SMN2ALDH1A1
SCHEMBL7049037 0.79 KCNA5 (0.39) KCNA5CYP3A4MAPTTSHREPHX1

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 KCNA5 4351/4885CYP3A4 1183/4885MAPT 2414/4885

“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.