SCHEMBL7045973

SCHEMBL7045973

CC(CCNC(=O)OCc1ccccc1)CC(=O)NCC(O)(CCc1ccccc1)c1nc(C(=O)NCc2ccccc2Cl)co1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PSMB5 P28074 7/20 0.40
NFKB1 P19838 4/20 0.40
NFKB2 Q00653 4/20 0.40
RELA Q04206 4/20 0.40
KCNA5 P22460 7/20 0.38
L3MBTL1 Q9Y468 1/20 0.35
NPC1 O15118 2/20 0.34
LMNA P02545 2/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HSD17B10 Q99714 1/20 0.34
RAB9A P51151 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
SCHEMBL7046903 0.91 TBXA2R (0.35) KCNA5L3MBTL1LMNAALDH1A1SMN1; SMN2
SCHEMBL7185049 0.90 MEN1 (0.35) KCNA5L3MBTL1LMNAALDH1A1HPGD
SCHEMBL7042863 0.89 KCNA5 (0.37) KCNA5ALDH1A1SMN1; SMN2
SCHEMBL7044814 0.88 SGMS2 (0.37) KCNA5NPC1ALDH1A1HPGDHTT
SCHEMBL7042125 0.88 L3MBTL1 (0.39) KCNA5L3MBTL1LMNAALDH1A1HPGD
SCHEMBL7049145 0.88 KCNA5 (0.38) KCNA5L3MBTL1ALDH1A1HPGDSMN1; SMN2
SCHEMBL7046404 0.86 MAPT (0.35) KCNA5L3MBTL1ALDH1A1
SCHEMBL7044845 0.80 KCNA5 (0.39) PSMB5NFKB1NFKB2RELAKCNA5
SCHEMBL7045323 0.80 MGLL (0.36) SMN1; SMN2
SCHEMBL6465152 0.79 MAPT (0.39) L3MBTL1NPC1LMNAALDH1A1HPGD

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 PSMB5 230/4885NFKB1 1162/4885NFKB2 1955/4885

“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.