SCHEMBL7047979

SCHEMBL7047979

CC(C)CCN(C(=O)OCc1ccccc1)C(=O)N(CCCc1ccccc1)C(=O)c1nc(C(=O)NCc2ccc(Cl)cc2)co1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 4/20 0.41
LMNA P02545 2/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPT P10636 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
DHODH Q02127 1/20 0.36
DAGLA Q9Y4D2 3/20 0.36
CCR6 P51684 1/20 0.35
PAX8 Q06710 1/20 0.35
PTGER1 P34995 1/20 0.34
KDM4E B2RXH2 1/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
NAMPT P43490 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
SCHEMBL7186571 0.93 MASP2 (0.38) TBXA2RLMNAALDH1A1MAPTDAGLA
SCHEMBL7044843 0.91 L3MBTL1 (0.39) TBXA2RLMNAALDH1A1MAPTSMN1; SMN2
SCHEMBL7558531 0.89 DAGLA (0.39) TBXA2RLMNASMN1; SMN2DAGLACCR6
SCHEMBL7047180 0.83 P2RX7 (0.37) DAGLA
SCHEMBL7049295 0.80 DAGLA (0.41) MAPTDAGLA
SCHEMBL6467199 0.78 DAGLA (0.41) TBXA2RLMNASMN1; SMN2DAGLAHPGD
SCHEMBL7567535 0.78 DAGLA (0.43) LMNADAGLA
SCHEMBL7047182 0.77 DAGLA (0.39) ALDH1A1SMN1; SMN2DAGLAHSD17B10
SCHEMBL7049748 0.77 XDH (0.40) LMNAALDH1A1MAPTSMN1; SMN2DAGLA
SCHEMBL7183270 0.77 MGLL (0.40) SMN1; SMN2

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 3395/4885LMNA 1755/4885ALDH1A1 3027/4885

“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.