SCHEMBL4417113

SCHEMBL4417113

CC(C)(C)OC(=O)c1ccc2c(=O)n(-c3ccc(C(=O)O)cc3)c(=O)[nH]c2c1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.53
▸ ALDH1A1 P00352 6/20 0.51
▸ SMN1; SMN2 Q16637 4/20 0.51
▸ KMT2A Q03164 4/20 0.51
▸ MEN1 O00255 3/20 0.51
▸ HSD17B10 Q99714 4/20 0.50
▸ GAA P10253 4/20 0.50
▸ LMNA P02545 3/20 0.50
▸ HPGD P15428 3/20 0.50
▸ TP53 P04637 3/20 0.50
▸ GLA P06280 2/20 0.50
▸ MAPT P10636 1/20 0.50
▸ RXFP1 Q9HBX9 3/20 0.49
▸ USP2 O75604 1/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ NPC1 O15118 1/20 0.49
▸ HTR3A P46098 1/20 0.45
▸ PKM P14618 1/20 0.44
▸ HTT P42858 1/20 0.44

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
SCHEMBL11798445 0.81 ALDH1A1 (0.67) KDM4EALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL4253425 0.80 KDM4E (0.79) KDM4EALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL2115751 0.79 ALDH1A1 (0.78) KDM4EALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL4252448 0.78 SMN1; SMN2 (0.66) KDM4EALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL11854523 0.78 SMN1; SMN2 (0.78) KDM4EALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL4253105 0.77 ALDH1A1 (0.62) KDM4EALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL2117997 0.77 ALDH1A1 (0.62) KDM4EALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL4254796 0.77 ALDH1A1 (0.79) KDM4EALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL12768215 0.77 KDM4E (0.40) KDM4EALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL13634870 0.76 SMN1; SMN2 (0.45) KDM4EALDH1A1SMN1; SMN2KMT2AMEN1

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 KDM4E 3010/4885ALDH1A1 1462/4885SMN1; SMN2 4038/4885

“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.

Send feedback