SCHEMBL18815769

SCHEMBL18815769

C[C@H](OC(=O)C1CCCN1C(=O)OC(C)(C)C)C(=O)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KLK7 P49862 1/20 0.51
▸ NPC1 O15118 1/20 0.50
▸ UCHL1 P09936 3/20 0.49
▸ EPHX2 P34913 1/20 0.48
▸ HSD17B10 Q99714 1/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ LMNA P02545 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ USP30 Q70CQ3 1/20 0.44
▸ KLK5 Q9Y337 1/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ FKBP1A P62942 1/20 0.43

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
SCHEMBL18815771 1.00 KLK7 (0.51) KLK7NPC1UCHL1EPHX2HSD17B10
SCHEMBL10121193 0.89 NPC1 (0.51) KLK7NPC1UCHL1EPHX2HSD17B10
SCHEMBL23397608 0.83 HSD17B10 (0.55) KLK7NPC1UCHL1EPHX2HSD17B10
SCHEMBL18206726 0.83 HSD17B10 (0.55) KLK7NPC1UCHL1EPHX2HSD17B10
SCHEMBL18206724 0.83 HSD17B10 (0.55) KLK7NPC1UCHL1EPHX2HSD17B10
SCHEMBL3530509 0.82 NPC1 (0.57) KLK7NPC1UCHL1EPHX2HSD17B10
SCHEMBL5408443 0.82 NPC1 (0.57) KLK7NPC1UCHL1EPHX2HSD17B10
SCHEMBL10522174 0.80 ALDH1A1 (0.61) KLK7NPC1UCHL1EPHX2HSD17B10
SCHEMBL15349958 0.80 ALDH1A1 (0.61) KLK7NPC1UCHL1EPHX2HSD17B10
SCHEMBL4955279 0.80 KLK7 (0.53) KLK7NPC1UCHL1EPHX2HSD17B10

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-20170129916-A1 NOVEL BETULINIC PROLINE IMIDAZOLE DERIVATIVES AS HIV INHIBITORS HETERO RESEARCH FOUNDATION (IN) 2017-05-11 — — 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-20170129916-A1 NOVEL BETULINIC PROLINE IMIDAZOLE DERIVATIVES AS HIV INHIBITORS BET1, PRR12, PREP KLK7 4158/4885NPC1 1111/4885UCHL1 3021/4885

“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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