SCHEMBL11356388

SCHEMBL11356388

CN(Cc1cccc(-c2ccc(C#N)cc2)c1)C(=O)CNC(=O)OC(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CTSB P07858 2/20 0.48
▸ CTSS P25774 2/20 0.48
▸ CTSL P07711 1/20 0.48
▸ AOC3 Q16853 17/20 0.48
▸ CTSK P43235 1/20 0.48
▸ HSD17B1 P14061 1/20 0.44
▸ HSD17B2 P37059 1/20 0.44

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
SCHEMBL11356204 0.87 AOC3 (0.51) CTSBCTSSCTSLAOC3
SCHEMBL11354954 0.87 AOC3 (0.54) AOC3
SCHEMBL11357366 0.87 AOC3 (0.57) AOC3
SCHEMBL12814252 0.86 AOC3 (0.54) AOC3HSD17B2
SCHEMBL10319556 0.86 AOC3 (0.65) AOC3
SCHEMBL10317082 0.85 AOC3 (0.54) AOC3HSD17B1HSD17B2
SCHEMBL11364712 0.85 AOC3 (0.53) AOC3HSD17B2
SCHEMBL11360080 0.85 AOC3 (0.49) AOC3
SCHEMBL11360023 0.84 AOC3 (0.69) AOC3
SCHEMBL11356382 0.83 AOC3 (0.52) CTSBCTSSCTSLAOC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2479165-B1 GLYCINE COMPOUND ASTELLAS PHARMA INC (JP) 2017-10-25 — — EP disclosed
US-8802679-B2 Glycine compound ASTELLAS PHARMA INC. (JP) 2014-08-12 — — US disclosed
US-8802679-B2 Glycine compound ASTELLAS PHARMA INC. (JP) 2014-08-12 — — US disclosed
US-20120184520-A1 GLYCINE COMPOUND ASTELLAS PHARMA INC. (JP) 2012-07-19 — — US disclosed
US-20120184520-A1 GLYCINE COMPOUND ASTELLAS PHARMA INC. (JP) 2012-07-19 — — US disclosed
WO-2011034078-A1 GLYCINE COMPOUND アステラス製薬株式会社 (JP) 2011-03-24 — — WO 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-20120184520-A1 GLYCINE COMPOUND SLC5A1, AQP1, VAPB CTSB 4295/4885CTSS 4197/4885CTSL 4229/4885

“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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