SCHEMBL4996876

SCHEMBL4996876

CCc1ccc(NC(=O)OCC2(C(=O)NCc3ccccc3Cl)CCN(C(=O)C3CCN(C(=O)OC(C)(C)C)CC3)CC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.43
NFE2L2 Q16236 1/20 0.43
ENPP2 Q13822 1/20 0.43
PTPN2 P17706 1/20 0.42
PTPN1 P18031 1/20 0.42
PTPN6 P29350 1/20 0.42
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.40
PTPRB P23467 1/20 0.40
PTPN11 Q06124 1/20 0.40
TP53 P04637 1/20 0.39
STS P08842 2/20 0.39
MAPT P10636 1/20 0.39
PSMB5 P28074 1/20 0.39
RXRA P19793 1/20 0.39
RXRB P28702 1/20 0.39
RXRG P48443 1/20 0.39
GPR119 Q8TDV5 1/20 0.38
ABL1 P00519 1/20 0.38
RIN1 Q13671 1/20 0.38

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
SCHEMBL14092498 0.94 KEAP1 (0.42) KEAP1NFE2L2ENPP2PTPN2PTPN1
SCHEMBL4990060 0.92 ALDH1A1 (0.41) ENPP2KMT2AMEN1TP53MAPT
SCHEMBL4996913 0.91 ALDH1A1 (0.41) KEAP1NFE2L2ENPP2KMT2AMEN1
SCHEMBL4995223 0.89 ALDH1A1 (0.47) ENPP2KMT2AMEN1TP53MAPT
SCHEMBL4725811 0.88 KMT2A (0.38) ENPP2KMT2AMEN1TP53MAPT
SCHEMBL4780847 0.86 PSMB5 (0.37) ENPP2KMT2APSMB5RXRARXRB
SCHEMBL14092520 0.86 IL1B (0.37) KEAP1NFE2L2ENPP2KMT2AMEN1
SCHEMBL14092506 0.86 MAPT (0.43) ENPP2KMT2AMEN1TP53MAPT
SCHEMBL4839103 0.86 SIGMAR1 (0.43) KEAP1NFE2L2KMT2AMEN1TP53
SCHEMBL14092541 0.85 KMT2A (0.42) ENPP2KMT2ATP53MAPTPSMB5

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
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
US-20080194633-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2008-08-14 US 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-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
US-20080194633-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2008-08-14 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-20080194633-A1 Certain chemical entities, compositions, and methods MYLK, MYH2, MYH10 KEAP1 3152/4885NFE2L2 4483/4885ENPP2 398/4885

“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.