SCHEMBL7044843

SCHEMBL7044843

CC(C)CCN(C(=O)OCc1ccccc1)C(=O)N(CCCc1ccccc1)C(=O)c1nc(C(=O)NCc2ccccc2Cl)co1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.39
NAMPT P43490 2/20 0.39
NPC1 O15118 2/20 0.37
RAB9A P51151 1/20 0.37
TBXA2R P21731 1/20 0.36
DAGLA Q9Y4D2 2/20 0.36
KCNA5 P22460 4/20 0.35
CCR6 P51684 1/20 0.35
PAX8 Q06710 1/20 0.35
LMNA P02545 2/20 0.35
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
EPHX2 P34913 1/20 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

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
SCHEMBL7047979 0.91 TBXA2R (0.41) NAMPTTBXA2RDAGLACCR6PAX8
SCHEMBL7186571 0.90 MASP2 (0.38) RAB9ATBXA2RDAGLALMNAMAPT
SCHEMBL7558531 0.89 DAGLA (0.39) NPC1RAB9ATBXA2RDAGLAKCNA5
SCHEMBL7047180 0.83 P2RX7 (0.37) DAGLAEPHX2
SCHEMBL7049295 0.80 DAGLA (0.41) DAGLAMAPT
SCHEMBL6467199 0.78 DAGLA (0.41) NPC1RAB9ATBXA2RDAGLALMNA
SCHEMBL7567535 0.78 DAGLA (0.43) DAGLALMNA
SCHEMBL7047182 0.77 DAGLA (0.39) DAGLATP53EPHX2ALDH1A1SMN1; SMN2
SCHEMBL7183270 0.77 MGLL (0.40) L3MBTL1SMN1; SMN2
SCHEMBL7046959 0.74 DAGLA (0.45) DAGLA

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 L3MBTL1 3185/4885NAMPT 809/4885NPC1 428/4885

“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.