SCHEMBL14123222

SCHEMBL14123222

CC(C)C[C@H](NC(=O)C1O[C@@H]1C(=O)NCCc1ccc(O)cc1)C(=O)NCc1ccc2ccccc2c1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MMP8 P22894 4/20 0.53
▸ MMP2 P08253 3/20 0.53
▸ MMP9 P14780 3/20 0.53
▸ CAPN1 P07384 7/20 0.51
▸ CTSB P07858 2/20 0.45
▸ CTSL P07711 1/20 0.45
▸ PSMB1 P20618 1/20 0.45
▸ PSMB5 P28074 1/20 0.45
▸ PSMB2 P49721 1/20 0.45
▸ ANPEP P15144 1/20 0.43
▸ CAPN9 O14815 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ CASP1 P29466 2/20 0.42
▸ CASP3 P42574 2/20 0.42
▸ CASP6 P55212 2/20 0.42
▸ CASP8 Q14790 1/20 0.42
▸ CASP7 P55210 1/20 0.41

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
SCHEMBL14122916 0.90 CAPN1 (0.53) MMP8MMP2MMP9CAPN1CTSB
SCHEMBL14123395 0.89 MMP8 (0.46) MMP8MMP2MMP9CAPN1CTSB
SCHEMBL8203720 0.89 MMP8 (0.46) MMP8MMP2MMP9CAPN1CTSB
SCHEMBL8203277 0.89 MMP8 (0.46) MMP8MMP2MMP9CAPN1CTSB
SCHEMBL15579525 0.88 HDAC3 (0.53) MMP8MMP2MMP9CAPN1CTSB
SCHEMBL14123093 0.87 CAPN1 (0.61) MMP8CAPN1CTSBCTSLCAPN9
SCHEMBL14122945 0.84 CAPN1 (0.56) MMP8CAPN1CTSBCTSLANPEP
SCHEMBL14123116 0.84 CAPN1 (0.56) MMP8CAPN1CTSBCTSLANPEP
SCHEMBL14123088 0.83 PSMB1 (0.51) MMP8MMP2MMP9PSMB1PSMB5
SCHEMBL14123051 0.83 PSMB1 (0.51) MMP8MMP2MMP9PSMB1PSMB5

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-20080176841-A1 EPOXIDE INHIBITORS OF CYSTEINE PROTEASES THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2008-07-24 — — US disclosed
US-20080176841-A1 EPOXIDE INHIBITORS OF CYSTEINE PROTEASES THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2008-07-24 — — 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-20080176841-A1 EPOXIDE INHIBITORS OF CYSTEINE PROTEASES SERPINB1, EPHX1, EPX MMP8 163/4885MMP2 262/4885MMP9 339/4885

“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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