Sugi Predict

Sugi Predict / Compounds / SCHEMBL4777347

SCHEMBL4777347

SCHEMBL4777347

CC(C)CN(C=O)c1ccc(N(Cc2cccc(Cl)c2Cl)S(C)(=O)=O)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1H4 Q96RI1 6/20 0.39
▸ RORC P51449 2/20 0.38
▸ GAA P10253 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.37
▸ HSD11B1 P28845 1/20 0.36
▸ RECQL P46063 1/20 0.36
▸ SLC6A2 P23975 3/20 0.35
▸ SLC6A4 P31645 3/20 0.35
▸ LMNA P02545 2/20 0.35
▸ CYP3A4 P08684 2/20 0.35
▸ CYP2D6 P10635 2/20 0.35
▸ MAPT P10636 2/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ GLA P06280 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ POLB P06746 1/20 0.34
▸ SLC6A3 Q01959 2/20 0.34
▸ KCNH2 Q12809 1/20 0.34

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
SCHEMBL4777561 0.89 GAA (0.36) NR1H4RORCGAAALDH1A1RECQL
SCHEMBL4771365 0.88 GAA (0.37) GAAALDH1A1RECQLLMNACYP3A4
SCHEMBL4777314 0.86 GAA (0.38) GAAALDH1A1RECQLLMNACYP3A4
SCHEMBL4776590 0.83 GAA (0.42) GAAALDH1A1RECQLLMNAMAPT
SCHEMBL5571819 0.83 SLC6A4 (0.42) NR1H4GAAALDH1A1HSD11B1RECQL
SCHEMBL4775060 0.82 GAA (0.39) GAAALDH1A1RECQLLMNAMAPT
SCHEMBL4775362 0.82 GAA (0.39) GAAALDH1A1RECQLSLC6A2SLC6A4
SCHEMBL4771201 0.81 LMNA (0.50) GAAALDH1A1RECQLLMNAMAPT
SCHEMBL4777553 0.80 ALDH1A1 (0.49) GAAALDH1A1RECQLLMNAMAPT
SCHEMBL4771202 0.80 GAA (0.38) GAAALDH1A1HSD11B1RECQLLMNA

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
EP-1942888-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS Cytokinetics, Inc. (US) 2008-07-16 — — EP claimed
US-20070135435-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INCORPORATED 2007-06-14 — — US claimed
WO-2007056078-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. (US) 2007-05-18 — — WO claimed
EP-1942888-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS Cytokinetics, Inc. (US) 2008-07-16 — — EP disclosed
US-20070135435-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INCORPORATED 2007-06-14 — — US disclosed
WO-2007056078-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. (US) 2007-05-18 — — 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-20070135435-A1 Certain chemical entities, compositions, and methods KIF5B, KIF2C, PLK1 NR1H4 2096/4885RORC 1743/4885GAA 466/4885

“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.