SCHEMBL4725958

SCHEMBL4725958

CCc1ccc(NC(=O)OCC(CC(=O)C2CCN(C(=O)NCc3ccccc3Cl)CC2)OC)cc1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PSMB5 P28074 7/20 0.46
▸ GLA P06280 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.42
▸ NPC1 O15118 1/20 0.41
▸ ENPP2 Q13822 1/20 0.40
▸ EPHX2 P34913 3/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ LMNA P02545 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ TSHR P16473 1/20 0.39

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
SCHEMBL4794134 0.82 BCHE (0.51) PSMB5GLAHSD17B10NPC1ENPP2
SCHEMBL4999109 0.82 PSMB5 (0.42) PSMB5GLAHSD17B10NPC1ENPP2
SCHEMBL4990439 0.79 PSMB5 (0.47) PSMB5GLAHSD17B10NPC1ENPP2
SCHEMBL4726589 0.76 BRD4 (0.53) PSMB5HSD17B10NPC1EPHX2MAPT
SCHEMBL14092555 0.74 BCHE (0.50) PSMB5NPC1EPHX2KMT2AMAPT
SCHEMBL4986457 0.74 BCHE (0.50) PSMB5NPC1EPHX2KMT2AMAPT
SCHEMBL14092543 0.74 BCHE (0.50) PSMB5NPC1EPHX2KMT2AMAPT
SCHEMBL4990827 0.74 POLB (0.51) MEN1KMT2AMAPTGAA
SCHEMBL4794378 0.74 POLB (0.51) MEN1KMT2AMAPTGAA
SCHEMBL5001623 0.73 ALDH1A1 (0.54) NPC1EPHX2MEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8071625-B2 E.g., [(1-(2-aminoacetyl)-4-{N-[(3-fluoro-2-methylphenyl)methyl]carbamoyl}(4-piperidyl))methoxy]-N-(4-ethylphenyl)carboxamide; smooth muscle myosin or non-muscle myosin modulator; hypotensive agent; asthma, COPD, bronchoconstrictive disease, glaucoma, pre-menstrual cramps, erectile dysfunction CYTOKINETICS, INC. (US) 2011-12-06 — — US claimed
WO-2008016676-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INCORPORATED (US) 2008-02-07 — — WO claimed
US-8071625-B2 E.g., [(1-(2-aminoacetyl)-4-{N-[(3-fluoro-2-methylphenyl)methyl]carbamoyl}(4-piperidyl))methoxy]-N-(4-ethylphenyl)carboxamide; smooth muscle myosin or non-muscle myosin modulator; hypotensive agent; asthma, COPD, bronchoconstrictive disease, glaucoma, pre-menstrual cramps, erectile dysfunction CYTOKINETICS, INC. (US) 2011-12-06 — — US disclosed
US-20080194633-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2008-08-14 — — US disclosed
WO-2008016676-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INCORPORATED (US) 2008-02-07 — — 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-20080194633-A1 Certain chemical entities, compositions, and methods MYLK, MYH2, MYH10 PSMB5 1640/4885GLA 828/4885HSD17B10 2636/4885

“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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