SCHEMBL4776235

SCHEMBL4776235

CS(=O)(=O)N(Cc1ccccc1Cl)c1ccc(C(=O)NCCSCc2ccco2)cc1

nearest known ligand 0.77

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 12/20 0.77
POLB P06746 8/20 0.77
L3MBTL1 Q9Y468 2/20 0.77
LMNA P02545 3/20 0.77
NPSR1 Q6W5P4 2/20 0.77
HPGD P15428 3/20 0.75
MAPT P10636 3/20 0.68
HSD17B10 Q99714 3/20 0.59
TSHR P16473 1/20 0.59
GAA P10253 1/20 0.54
KMT2A Q03164 3/20 0.53
ALOX15 P16050 1/20 0.53
MEN1 O00255 1/20 0.51
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
RECQL P46063 1/20 0.50
TDP1 Q9NUW8 1/20 0.50

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
SCHEMBL4774774 0.85 ALDH1A1 (0.56) ALDH1A1POLBL3MBTL1LMNANPSR1
SCHEMBL4772417 0.80 GAA (0.66) ALDH1A1POLBL3MBTL1LMNANPSR1
SCHEMBL4777696 0.80 GAA (0.66) ALDH1A1POLBL3MBTL1LMNANPSR1
SCHEMBL4770963 0.78 GAA (0.63) ALDH1A1POLBL3MBTL1LMNANPSR1
SCHEMBL4776233 0.78 ALDH1A1 (0.66) ALDH1A1POLBL3MBTL1LMNANPSR1
SCHEMBL4776615 0.78 GAA (0.68) ALDH1A1POLBLMNANPSR1HPGD
SCHEMBL4768069 0.75 GAA (0.64) ALDH1A1POLBLMNANPSR1HPGD
SCHEMBL29419341 0.73 ALDH1A1 (0.69) ALDH1A1POLBL3MBTL1LMNANPSR1
SCHEMBL4773061 0.73 GAA (0.59) ALDH1A1POLBL3MBTL1LMNANPSR1
SCHEMBL4777288 0.73 GAA (0.61) ALDH1A1POLBLMNANPSR1HPGD

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 2159/4885POLB 292/4885L3MBTL1 2781/4885

“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.