SCHEMBL4646901

SCHEMBL4646901

NS(=O)(=O)c1ccc(C(F)F)s1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CA2 P00918 18/20 0.43
DAO P14920 1/20 0.42
CA1 P00915 8/20 0.39
CA12 O43570 7/20 0.39
CA9 Q16790 7/20 0.39
CA4 P22748 1/20 0.39
CA7 P43166 1/20 0.39
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL23531699 0.79 DAO (0.42) DAO
SCHEMBL21321761 0.79 CA2 (0.43) CA2CA1CA12CA9CA4
SCHEMBL10373558 0.72 CA2 (0.45) CA2CA1CA12CA9CA4
SCHEMBL24978356 0.72 CA2 (0.49) CA2CA1CA12CA9CA4
SCHEMBL23569856 0.71 CA2 (0.47) CA2DAOCA1CA12CA9
SCHEMBL4802533 0.70 CA2 (0.53) CA2CA1CA12CA9CA4
SCHEMBL5153269 0.69 CA2 (0.48) CA2CA1CA12CA9CA4
SCHEMBL21962282 0.68 CA2 (0.36) CA2CA1CA12CA9CA4
SCHEMBL8870484 0.67 CA2 (0.52) CA2CA1CA12CA9CA4
SCHEMBL185767 0.67 PTGES2 (0.53) CA2CA1CA12CA9

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
CN-1863789-B Substituted isoquinolinones PORTOLA PHARM INC 2010-06-09 CN disclosed
EP-1667989-A4 SUBSTITUTED ISOQUINOLINONES PORTOLA PHARM INC (US) 2008-08-20 EP disclosed
US-7294635-B2 Substituted isoquinolinones PORTOLA PHARMACEUTICALS, INC. (US) 2007-11-13 US disclosed
CN-1863789-A Substituted isoquinolinones PORTOLA PHARM INC (US) 2006-11-15 CN disclosed
EP-1667989-A1 SUBSTITUTED ISOQUINOLINONES Portola Pharmaceuticals, Inc. (US) 2006-06-14 EP disclosed
US-20050113399-A1 Substituted isoquinolinones PORTOLA PHARMACEUTICALS, INC. (US) 2005-05-26 US disclosed
WO-2005035520-A1 SUBSTITUTED ISOQUINOLINONES PORTOLA PHARMACEUTICALS, INC. (US) 2005-04-21 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-20050113399-A1 Substituted isoquinolinones PFKP, MPL, TBXA2R CA2 4801/4885DAO 2528/4885CA1 4876/4885

“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.