SCHEMBL16462718

SCHEMBL16462718

COC(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)[C@H](C)NC(=O)OCc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.57
▸ THRB P10828 1/20 0.57
▸ CYP2C9 P11712 1/20 0.57
▸ CYP2C19 P33261 1/20 0.57
▸ HSD17B10 Q99714 1/20 0.57
▸ CAPN1 P07384 2/20 0.57
▸ NOS2 P35228 1/20 0.55
▸ ALOX15 P16050 1/20 0.55
▸ TSHR P16473 3/20 0.54
▸ REN P00797 1/20 0.53
▸ CTSK P43235 3/20 0.53
▸ CTSB P07858 3/20 0.53
▸ CTSL P07711 1/20 0.53
▸ CTSS P25774 1/20 0.53
▸ CYP3A4 P08684 2/20 0.52
▸ MEN1 O00255 1/20 0.52
▸ MAPT P10636 1/20 0.52
▸ KMT2A Q03164 1/20 0.52

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
SCHEMBL16462719 1.00 ALDH1A1 (0.57) ALDH1A1THRBCYP2C9CYP2C19HSD17B10
SCHEMBL11781682 0.93 ALDH1A1 (0.64) ALDH1A1THRBCYP2C9CYP2C19HSD17B10
SCHEMBL16462974 0.92 PPARA (0.56) CAPN1CTSKCTSBCTSLCTSS
SCHEMBL16462972 0.92 PPARA (0.56) CAPN1CTSKCTSBCTSLCTSS
SCHEMBL2852419 0.91 ALDH1A1 (0.65) ALDH1A1NOS2ALOX15TSHRCTSK
SCHEMBL2852421 0.91 ALDH1A1 (0.65) ALDH1A1NOS2ALOX15TSHRCTSK
SCHEMBL16462787 0.89 CTSK (0.61) ALDH1A1THRBCYP2C9CYP2C19HSD17B10
SCHEMBL12052762 0.89 CTSK (0.61) ALDH1A1THRBCYP2C9CYP2C19HSD17B10
SCHEMBL8100024 0.89 CTSK (0.61) ALDH1A1THRBCYP2C9CYP2C19HSD17B10
SCHEMBL8107011 0.89 CTSK (0.61) ALDH1A1THRBCYP2C9CYP2C19HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150274777-A1 KETOAMIDE IMMUNOPROTEASOME INHIBITORS HOFFMANN-LA ROCHE INC. 2015-10-01 — — US disclosed
EP-2906581-A1 KETOAMIDE IMMUNOPROTEASOME INHIBITORS F. Hoffmann-La Roche AG (CH) 2015-08-19 — — EP disclosed
WO-2014056748-A1 KETOAMIDE IMMUNOPROTEASOME INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2014-04-17 — — 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-20150274777-A1 KETOAMIDE IMMUNOPROTEASOME INHIBITORS PSMB7, PSMB5, PSMC2 ALDH1A1 2184/4885THRB 4228/4885CYP2C9 1383/4885

“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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