SCHEMBL4777415

SCHEMBL4777415

CCOC(=O)CCS(=O)(=O)Nc1ccc(C(=O)N(C)c2ccc(C(F)(F)F)nc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.42
TP53 P04637 3/20 0.42
MAPK1 P28482 3/20 0.42
KMT2A Q03164 3/20 0.42
NPSR1 Q6W5P4 3/20 0.42
HSD17B10 Q99714 3/20 0.42
TLR9 Q9NR96 3/20 0.42
LMNA P02545 2/20 0.42
S1PR4 O95977 1/20 0.42
S1PR1 P21453 1/20 0.42
STAT3 P40763 1/20 0.42
STAT1 P42224 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
SDHB P21912 1/20 0.40
KDM4E B2RXH2 2/20 0.39
GPBAR1 Q8TDU6 4/20 0.39
L3MBTL1 Q9Y468 1/20 0.37
THRA P10827 1/20 0.37
NHERF1 O14745 1/20 0.36
BCL2A1 Q16548 2/20 0.36

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
SCHEMBL4777412 0.81 EPHX2 (0.46) LMNASMN1; SMN2RAB9AALDH1A1
SCHEMBL4767893 0.78 TRPM8 (0.37) HPGDTP53MAPK1KMT2ANPSR1
SCHEMBL10276146 0.68 NPC1 (0.46) HPGDMAPK1KMT2ASMN1; SMN2KDM4E
SCHEMBL4771001 0.68 ALDH1A1 (0.36) GPBAR1MAPTOXTRALDH1A1
SCHEMBL25301123 0.68 KCNQ3 (0.41) MAPK1KMT2ASMN1; SMN2KDM4EGPBAR1
SCHEMBL2743461 0.68 NPC1 (0.44) HPGDTP53MAPK1KMT2ANPSR1
SCHEMBL31067871 0.66 CYP4F2 (0.54) HPGDTP53MAPK1KMT2ANPSR1
SCHEMBL25245034 0.66 CYP4F2 (0.54) HPGDTP53MAPK1KMT2ANPSR1
SCHEMBL25250865 0.66 KCNQ3 (0.38) HPGDTP53MAPK1KMT2ANPSR1
SCHEMBL30468915 0.66 KCNQ3 (0.38) HPGDTP53MAPK1KMT2ANPSR1

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 HPGD 2681/4885TP53 30/4885MAPK1 2283/4885

“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.