SCHEMBL7046903

SCHEMBL7046903

CC(CCNC(=O)OCc1ccccc1)CC(=O)NCC(O)(CCc1ccccc1)c1nc(C(=O)NCc2ccc(Cl)cc2)co1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 4/20 0.35
KCNA5 P22460 3/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MMP2 P08253 1/20 0.33
MMP9 P14780 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
DHODH Q02127 1/20 0.33
CTSK P43235 1/20 0.33
CNR1 P21554 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
SCHEMBL7185049 0.93 MEN1 (0.35) KCNA5MEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL7042863 0.92 KCNA5 (0.37) KCNA5ALDH1A1SMN1; SMN2
SCHEMBL7045973 0.91 PSMB5 (0.40) KCNA5L3MBTL1ALDH1A1LMNASMN1; SMN2
SCHEMBL7042125 0.90 L3MBTL1 (0.39) KCNA5KMT2AL3MBTL1ALDH1A1LMNA
SCHEMBL7044814 0.89 SGMS2 (0.37) KCNA5MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL7049145 0.88 KCNA5 (0.38) KCNA5KMT2AL3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL7046404 0.86 MAPT (0.35) KCNA5L3MBTL1ALDH1A1
SCHEMBL7045323 0.80 MGLL (0.36) MEN1KMT2ASMN1; SMN2
SCHEMBL6465152 0.80 MAPT (0.39) MEN1KMT2AL3MBTL1ALDH1A1LMNA
SCHEMBL7047980 0.80 TBXA2R (0.37) TBXA2RKCNA5MEN1KMT2AL3MBTL1

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 TBXA2R 3395/4885KCNA5 4351/4885MEN1 4023/4885

“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.