SCHEMBL2963511

SCHEMBL2963511

O=C(NCCNc1nsc2ccccc12)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 1/20 0.49
EPHX2 P34913 1/20 0.47
RHOC P08134 4/20 0.46
RHOA P61586 4/20 0.46
ALDH1A1 P00352 1/20 0.44
POLB P06746 1/20 0.44
RXFP1 Q9HBX9 1/20 0.43
KCNA3 P22001 1/20 0.41
TP53BP1 Q12888 1/20 0.41
TP53 P04637 2/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
GPR52 Q9Y2T5 1/20 0.39

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
SCHEMBL2977374 0.94 EPHX2 (0.44) TACR1EPHX2RHOCRHOAALDH1A1
SCHEMBL2963440 0.92 POLB (0.55) EPHX2ALDH1A1POLBTP53BP1TP53
SCHEMBL2969983 0.91 EPHX2 (0.55) EPHX2KCNA3TP53MAPT
SCHEMBL2966982 0.86 EPHX2 (0.47) EPHX2ALDH1A1POLBTP53LMNA
SCHEMBL2979089 0.85 EPAS1 (0.52) KCNA3TP53LMNAMAPT
SCHEMBL2977086 0.84 KCNA3 (0.44) EPHX2ALDH1A1KCNA3TP53LMNA
SCHEMBL2974074 0.83 HTR1A (0.51) ALDH1A1POLBKCNA3TP53LMNA
SCHEMBL2966927 0.83 EPHX2 (0.46) EPHX2ALDH1A1KCNA3TP53LMNA
SCHEMBL2969381 0.83 ABL1 (0.49) POLBKCNA3TP53MAPT
SCHEMBL2972643 0.83 EPHX2 (0.46) EPHX2ALDH1A1POLBKCNA3TP53

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 7 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-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 TACR1 2205/4885EPHX2 3359/4885RHOC 3515/4885

“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.