SCHEMBL2966927

SCHEMBL2966927

O=C(NCCNc1nsc2ccccc12)c1ccc(C(F)(F)F)cc1C(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.46
MAPK8 P45983 1/20 0.41
MAPK10 P53779 1/20 0.41
CES2 O00748 1/20 0.40
SORT1 Q99523 3/20 0.40
ESRRG P62508 1/20 0.40
MAPT P10636 3/20 0.39
AVPR2 P30518 1/20 0.39
GPR27 Q9NS67 1/20 0.39
TP53 P04637 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
TSHR P16473 1/20 0.38
FLT1 P17948 1/20 0.38
FLT4 P35916 1/20 0.38
KDR P35968 1/20 0.38
MEN1 O00255 2/20 0.37

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
SCHEMBL2972643 0.92 EPHX2 (0.46) EPHX2CES2SORT1MAPTTP53
SCHEMBL2963495 0.90 EPHX2 (0.46) EPHX2SORT1MAPTGPR27TP53
SCHEMBL2965415 0.88 MAPT (0.45) EPHX2MAPTTP53CYP1A2CYP3A4
SCHEMBL2978054 0.87 EPHX2 (0.46) EPHX2MAPK8MAPK10TP53MEN1
SCHEMBL2969983 0.85 EPHX2 (0.55) EPHX2MAPTTP53KCNA3
SCHEMBL2963440 0.84 POLB (0.55) EPHX2TP53ALDH1A1LMNA
SCHEMBL2979407 0.84 MAPT (0.42) EPHX2MAPTTP53CYP1A2CYP3A4
SCHEMBL2963511 0.83 TACR1 (0.49) EPHX2MAPTTP53ALDH1A1KCNA3
SCHEMBL13202621 0.83 GAA (0.48) EPHX2MAPTTP53
SCHEMBL2977086 0.80 KCNA3 (0.44) EPHX2MAPTTP53CYP1A2CYP3A4

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-1853573-A1 BENZISOTHIAZOLES USEFUL FOR TREATING OR PREVENTING HCV INFECTION Rigel Pharmaceuticals, Inc. (US) 2007-11-14 EP claimed
US-20060229294-A1 Benzisothiazoles useful for treating or preventing HCV infection RIGEL PHARMACEUTICALS, INC. (US) 2006-10-12 US claimed
WO-2006091858-A1 BENZISOTHIAZOLES USEFUL FOR TREATING OR PREVENTING HCV INFECTION RIGEL PHARMACEUTICALS, INC. (US) 2006-08-31 WO claimed
US-7776847-B2 Benzisothiazoles useful for treating or preventing HCV infection RIGEL PHARMACEUTICALS, INC. (US) 2010-08-17 US disclosed
US-7776847-B2 Benzisothiazoles useful for treating or preventing HCV infection RIGEL PHARMACEUTICALS, INC. (US) 2010-08-17 US disclosed
US-20060229294-A1 Benzisothiazoles useful for treating or preventing HCV infection RIGEL PHARMACEUTICALS, INC. (US) 2006-10-12 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-20060229294-A1 Benzisothiazoles useful for treating or preventing HCV infection HAVCR2, ZC3HAV1, MAVS EPHX2 3359/4885MAPK8 2741/4885MAPK10 2432/4885

“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.