SCHEMBL7049145

SCHEMBL7049145

CC(CCNC(=O)OCc1ccccc1)CC(=O)NCC(O)(CCc1ccccc1)c1nc(C(=O)NCc2ccccn2)co1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 4/20 0.38
KCNK3 O14649 1/20 0.38
KCNA3 P22001 1/20 0.38
CYP1A2 P05177 4/20 0.36
CYP3A4 P08684 3/20 0.36
CYP2C9 P11712 3/20 0.36
CYP2C19 P33261 3/20 0.36
ALDH1A1 P00352 3/20 0.36
CYP2D6 P10635 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
TSHR P16473 2/20 0.36
SLC40A1 Q9NP59 4/20 0.36
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
MAPT P10636 1/20 0.35
ANPEP P15144 1/20 0.34
KMT2A Q03164 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MAPK1 P28482 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
SCHEMBL7042863 0.90 KCNA5 (0.37) KCNA5CYP3A4ALDH1A1SMN1; SMN2TSHR
SCHEMBL7042125 0.89 L3MBTL1 (0.39) KCNA5CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL7046903 0.88 TBXA2R (0.35) KCNA5ALDH1A1SMN1; SMN2KMT2AL3MBTL1
SCHEMBL7044814 0.88 SGMS2 (0.37) KCNA5CYP3A4CYP2C9CYP2C19ALDH1A1
SCHEMBL7045973 0.88 PSMB5 (0.40) KCNA5ALDH1A1SMN1; SMN2HPGDL3MBTL1
SCHEMBL7185049 0.87 MEN1 (0.35) KCNA5ALDH1A1HPGDMAPTKMT2A
SCHEMBL7046404 0.86 MAPT (0.35) KCNA5ALDH1A1TDP1MAPTL3MBTL1
SCHEMBL7045334 0.80 CYP1A2 (0.42) KCNA5KCNK3KCNA3CYP1A2CYP3A4
SCHEMBL7045323 0.80 MGLL (0.36) CYP2C9CYP2C19SMN1; SMN2KMT2A
SCHEMBL6465479 0.78 HPGD (0.46) CYP1A2CYP3A4CYP2C9CYP2C19ALDH1A1

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 4351/4885KCNK3 4083/4885KCNA3 4239/4885

“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.