Sugi Predict

Sugi Predict / Compounds / SCHEMBL4728737

SCHEMBL4728737

SCHEMBL4728737

CCc1ccc(NC(=O)OCC2(C(=O)NCc3ccccc3Cl)CC(O)C(O)C2)cc1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ RAB9A P51151 5/20 0.41
▸ MAPT P10636 5/20 0.41
▸ NPC1 O15118 4/20 0.41
▸ PTGDR2 Q9Y5Y4 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ EPHX2 P34913 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
SCHEMBL4993936 0.90 SMN1; SMN2 (0.44) SMN1; SMN2L3MBTL1RAB9AMAPTNPC1
SCHEMBL14092505 0.88 SMN1; SMN2 (0.43) SMN1; SMN2L3MBTL1RAB9AMAPTNPC1
SCHEMBL4996293 0.88 SMN1; SMN2 (0.43) SMN1; SMN2L3MBTL1RAB9AMAPTNPC1
SCHEMBL4780379 0.88 SMN1; SMN2 (0.43) SMN1; SMN2L3MBTL1RAB9AMAPTNPC1
SCHEMBL4998989 0.87 ALPL (0.43) SMN1; SMN2L3MBTL1RAB9AMAPTNPC1
SCHEMBL4794131 0.86 SMN1; SMN2 (0.41) SMN1; SMN2L3MBTL1RAB9AMAPTNPC1
SCHEMBL4726465 0.86 TP53 (0.42) SMN1; SMN2L3MBTL1RAB9AMAPTNPC1
SCHEMBL4996862 0.85 MAPT (0.42) SMN1; SMN2L3MBTL1RAB9AMAPTNPC1
Hydrochloric Acid SCHEMBL4725416 0.85 SMN1; SMN2 (0.40) SMN1; SMN2L3MBTL1RAB9AMAPTNPC1
SCHEMBL4725149 0.84 TP53 (0.46) SMN1; SMN2L3MBTL1RAB9AMAPTNPC1

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 4 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 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
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 SMN1; SMN2 252/4885L3MBTL1 4642/4885RAB9A 2065/4885

“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.