SCHEMBL14470769

SCHEMBL14470769

COC(=O)C(CO)NC(=O)C(C)CC(C)NC(=O)n1nnc2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.44
▸ HSD17B10 Q99714 2/20 0.44
▸ THRB P10828 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ ASAH1 Q13510 2/20 0.42
▸ F12 P00748 5/20 0.39
▸ MGAM O43451 5/20 0.39
▸ AMY1A P0DUB6 5/20 0.39
▸ GAA P10253 5/20 0.39
▸ SI P14410 5/20 0.39
▸ MGAM2 Q2M2H8 5/20 0.39
▸ MIF P14174 1/20 0.39
▸ FAAH O00519 1/20 0.39
▸ APAF1 O14727 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ MGLL Q99685 1/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ F2 P00734 1/20 0.37
▸ HPGD P15428 1/20 0.37

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
SCHEMBL8218121 0.79 ASAH1 (0.50) ALDH1A1ASAH1F12MGAMAMY1A
SCHEMBL20928041 0.79 ASAH1 (0.53) ALDH1A1HSD17B10ASAH1F12MGAM
SCHEMBL14494257 0.77 ASAH1 (0.43) ALDH1A1HSD17B10ASAH1F12MGAM
SCHEMBL22101596 0.72 ASAH1 (0.56) ALDH1A1HSD17B10ASAH1F12MGAM
SCHEMBL20156704 0.72 ASAH1 (0.51) ALDH1A1HSD17B10ASAH1F12MGAM
SCHEMBL14470768 0.70 ASAH1 (0.40) HSD17B10ASAH1F12MGAMAMY1A
SCHEMBL14470767 0.69 ASAH1 (0.41) ALDH1A1HSD17B10ASAH1F12MGAM
SCHEMBL14470772 0.69 ASAH1 (0.41) ALDH1A1HSD17B10ASAH1F12MGAM
SCHEMBL14470770 0.69 ASAH1 (0.39) HSD17B10ASAH1F12MGAMAMY1A
SCHEMBL29008120 0.69 ASAH1 (0.52) ALDH1A1HSD17B10ASAH1F12MGAM

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070167426-A1 Compounds for the treatment of inflammatory disorders and microbial diseases SCHERING CORPORATION 2007-07-19 — — 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-20070167426-A1 Compounds for the treatment of inflammatory disorders and microbial diseases MMP12, ADAMTS1, ADAM33 ALDH1A1 1502/4885HSD17B10 581/4885THRB 3651/4885

“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.

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