SCHEMBL4689922

SCHEMBL4689922

O=C(Nc1ccc(-n2ccc3cc(NCC(F)(F)F)c(F)cc3c2=O)cc1)NS(=O)(=O)c1ccc(Cl)s1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 1/20 0.54
FBP1 P09467 3/20 0.35
PPARG P37231 1/20 0.34
MAPT P10636 2/20 0.34
F10 P00742 6/20 0.34
APP P05067 2/20 0.32
MEN1 O00255 2/20 0.32
LMNA P02545 2/20 0.32
KMT2A Q03164 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
HTT P42858 1/20 0.32
RECQL P46063 1/20 0.32
PSEN1 P49768 2/20 0.31
PSEN2 P49810 2/20 0.31
APH1B Q8WW43 2/20 0.31
NCSTN Q92542 2/20 0.31
APH1A Q96BI3 2/20 0.31
PSENEN Q9NZ42 2/20 0.31
IDH2 P48735 2/20 0.31

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
SCHEMBL4689679 0.91 P2RY12 (0.56) P2RY12FBP1PPARGMAPTF10
SCHEMBL4690433 0.91 P2RY12 (0.54) P2RY12FBP1PPARGMAPTF10
SCHEMBL12161151 0.90 P2RY12 (0.46) P2RY12FBP1PPARGMAPTAPP
SCHEMBL4685439 0.89 P2RY12 (0.54) P2RY12FBP1PPARGMAPTF10
SCHEMBL2947719 0.89 P2RY12 (0.67) P2RY12FBP1MAPTF10MEN1
SCHEMBL5423052 0.89 P2RY12 (0.52) P2RY12FBP1MAPTF10LMNA
SCHEMBL4647420 0.88 P2RY12 (0.58) P2RY12FBP1MAPTF10MEN1
SCHEMBL4682562 0.87 P2RY12 (0.55) P2RY12FBP1PPARGMAPTF10
SCHEMBL4648221 0.87 P2RY12 (0.54) P2RY12FBP1MAPTF10APP
SCHEMBL4689917 0.85 P2RY12 (0.54) P2RY12FBP1PPARGMAPTF10

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-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
US-7294635-B2 Substituted isoquinolinones PORTOLA PHARMACEUTICALS, INC. (US) 2007-11-13 US disclosed
US-7294635-B2 Substituted isoquinolinones PORTOLA PHARMACEUTICALS, INC. (US) 2007-11-13 US 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 P2RY12 67/4885FBP1 3650/4885PPARG 1959/4885

“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.