SCHEMBL4771005

SCHEMBL4771005

COC(=O)c1cccc(NS(=O)(=O)CCc2cccc(Cl)c2Cl)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.55
ALDH1A1 P00352 4/20 0.51
KMT2A Q03164 3/20 0.51
PFKFB3 Q16875 2/20 0.51
PFKFB4 Q16877 2/20 0.51
TCF4 P15884 2/20 0.49
CTNNB1 P35222 2/20 0.49
MAPT P10636 7/20 0.47
RAB9A P51151 7/20 0.47
NPC1 O15118 6/20 0.47
MEN1 O00255 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
PKM P14618 1/20 0.46
ATM Q13315 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
IDH1 O75874 1/20 0.43

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
SCHEMBL4767669 0.85 MAPT (0.46) POLBALDH1A1KMT2APFKFB3PFKFB4
SCHEMBL4767769 0.83 MAPT (0.45) POLBALDH1A1KMT2APFKFB3PFKFB4
SCHEMBL4774741 0.80 HPGD (0.58) POLBALDH1A1KMT2AMAPTRAB9A
SCHEMBL4777535 0.79 PTGES2 (0.49) POLBALDH1A1KMT2AMAPTRAB9A
SCHEMBL4776450 0.79 STAT3 (0.44) MAPTRAB9ANPC1SMN1; SMN2HPGD
SCHEMBL4187307 0.78 POLB (0.72) POLBALDH1A1PFKFB3PFKFB4TCF4
SCHEMBL4771118 0.78 SMN1; SMN2 (0.46) POLBALDH1A1KMT2AMAPTRAB9A
SCHEMBL4774787 0.77 HPGD (0.47) ALDH1A1KMT2AMAPTMEN1HPGD
SCHEMBL4773377 0.77 EDNRA (0.39) POLBALDH1A1KMT2AMAPTRAB9A
SCHEMBL4775262 0.75 MAPT (0.47) ALDH1A1KMT2AMAPTRAB9ANPC1

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 POLB 292/4885ALDH1A1 2159/4885KMT2A 1501/4885

“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.