SCHEMBL4774976

SCHEMBL4774976

O=C(NCc1ccc(C(F)(F)F)nc1)c1ccc(NS(=O)(=O)CCc2ncc(-c3ccccc3)o2)cc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ITK Q08881 2/20 0.46
TDP1 Q9NUW8 1/20 0.42
MAPT P10636 2/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
SCN3A Q9NY46 2/20 0.40
NAMPT P43490 3/20 0.39
PPARA Q07869 2/20 0.39
PPARG P37231 1/20 0.39
ALDH1A1 P00352 1/20 0.38
RXRA P19793 1/20 0.38
RXRB P28702 1/20 0.38
RXRG P48443 1/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
KMT2A Q03164 1/20 0.38
DGAT2 Q96PD7 1/20 0.38

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
SCHEMBL5571585 0.82 MAPK14 (0.44) ITKTDP1MAPTSCN3ANAMPT
SCHEMBL4768151 0.82 MAPT (0.49) ITKTDP1MAPTCA1CA2
SCHEMBL4773250 0.80 SCN3A (0.51) ITKTDP1SCN3ANAMPTPPARA
SCHEMBL4774979 0.80 GAA (0.55) ITKCA1CA2ALDH1A1LMNA
SCHEMBL4776425 0.79 TDP1 (0.42) ITKTDP1MAPTCA2SCN3A
SCHEMBL4777709 0.78 PPARG (0.48) ITKTDP1MAPTCA1CA2
SCHEMBL4777334 0.78 SCN3A (0.46) TDP1MAPTCA1CA2SCN3A
SCHEMBL4773151 0.77 MAPT (0.44) ITKTDP1MAPTCA1CA2
SCHEMBL4767854 0.77 MAPT (0.46) ITKTDP1MAPTCA1CA2
SCHEMBL5572196 0.76 PPARA (0.42) ITKTDP1MAPTCA1CA2

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 4 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
US-20070135435-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INCORPORATED 2007-06-14 US 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 ITK 4081/4885TDP1 217/4885MAPT 294/4885

“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.