SCHEMBL4413809

SCHEMBL4413809

CCOC(=O)O.NS(=O)(=O)c1ccc(Cl)s1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 5/20 0.46
PSEN1 P49768 1/20 0.44
PSEN2 P49810 1/20 0.44
APH1B Q8WW43 1/20 0.44
NCSTN Q92542 1/20 0.44
APH1A Q96BI3 1/20 0.44
PSENEN Q9NZ42 1/20 0.44
MAPT P10636 3/20 0.40
ALDH1A1 P00352 3/20 0.40
P2RY12 Q9H244 1/20 0.40
GALR3 O60755 1/20 0.40
LMNA P02545 1/20 0.40
TSHR P16473 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40

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
SCHEMBL185767 0.79 PTGES2 (0.53) CA2PSEN1PSEN2APH1BNCSTN
Hydrochloric Acid SCHEMBL185389 0.77 PTGES2 (0.51) CA2PSEN1PSEN2APH1BNCSTN
SCHEMBL22638697 0.74 HDAC3 (0.53) CA2MAPTALDH1A1LMNATSHR
SCHEMBL195598 0.73 P2RY12 (0.53) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL27637024 0.71 MAPT (0.49) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL14154888 0.69 KMT2A (0.46) MAPTALDH1A1TSHRMEN1KMT2A
SCHEMBL27697968 0.69 PTGES2 (0.46) CA2PSEN1PSEN2APH1BNCSTN
SCHEMBL13991610 0.69 CA2 (0.45) CA2NPC1RAB9APTGES2
SCHEMBL12780488 0.68 KMT2A (0.51) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL9429371 0.68 CA1 (0.52) CA2MAPTALDH1A1LMNATSHR

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-1668002-B1 2,4-DIOXO-3-QUINAZOLINYLARYL SULFONYLUREAS PORTOLA PHARM INC (US) 2009-11-11 EP disclosed
EP-1668002-A4 2,4-DIOXO-3-QUINAZOLINYLARYL SULFONYLUREAS PORTOLA PHARM INC (US) 2006-12-20 EP disclosed
US-7109332-B2 2,4-dioxo-3-quinazolinylaryl sulfonylureas PORTOLA PHARMACEUTICALS, INC. (US) 2006-09-19 US disclosed
EP-1668002-A2 2,4-DIOXO-3-QUINAZOLINYLARYL SULFONYLUREAS Portola Pharmaceuticals, Inc. (US) 2006-06-14 EP disclosed
US-20050107357-A1 2,4-dioxo-3-quinazolinylaryl sulfonylureas PORTOLA PHARMACEUTICALS, INC. (US) 2005-05-19 US disclosed
WO-2005032488-A2 2,4-DIOXO-3-QUINAZOLINYLARYL SULFONYLUREAS PORTOLA PHARMACEUTICALS, INC. (US) 2005-04-14 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-20050107357-A1 2,4-dioxo-3-quinazolinylaryl sulfonylureas PFKP, DPP3, P2RY13 CA2 3921/4885PSEN1 4678/4885PSEN2 4529/4885

“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.