SCHEMBL4773056

SCHEMBL4773056

C[C@H](NC(=O)c1ccc(NS(=O)(=O)CCc2cccc(Cl)c2Cl)cc1)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
GAA P10253 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
NPC1 O15118 1/20 0.46
LMNA P02545 1/20 0.46
GPR139 Q6DWJ6 3/20 0.45
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
MAPK1 P28482 2/20 0.42
ROCK2 O75116 1/20 0.42
RPS6KA5 O75582 1/20 0.42
MAP4K4 O95819 1/20 0.42
CDK1 P06493 1/20 0.42
CSF1R P07333 1/20 0.42
PRKACA P17612 1/20 0.42
FLT1 P17948 1/20 0.42
RPS6KB1 P23443 1/20 0.42

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
SCHEMBL4778522 1.00 ALDH1A1 (0.46) ALDH1A1GAASMN1; SMN2NPC1LMNA
SCHEMBL4770885 0.83 SMN1; SMN2 (0.50) ALDH1A1SMN1; SMN2NPC1KMT2A
SCHEMBL4777284 0.82 ACLY (0.49) SMN1; SMN2LMNAKMT2AMEN1
SCHEMBL4775200 0.81 L3MBTL1 (0.47) ALDH1A1SMN1; SMN2LMNA
SCHEMBL4777299 0.78 L3MBTL1 (0.46) ALDH1A1SMN1; SMN2KMT2A
SCHEMBL4774787 0.78 HPGD (0.47) ALDH1A1KMT2AMEN1AURKB
SCHEMBL4773300 0.77 CA1 (0.47) ALDH1A1GAALMNAKMT2AMAPK1
SCHEMBL4777421 0.77 L3MBTL1 (0.43) ALDH1A1KMT2AMEN1
SCHEMBL4768057 0.77 L3MBTL1 (0.43) ALDH1A1SMN1; SMN2KMT2A
SCHEMBL4773557 0.77 L3MBTL1 (0.43) ALDH1A1SMN1; SMN2KMT2AMEN1

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 ALDH1A1 2159/4885GAA 466/4885SMN1; SMN2 1149/4885

“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.