SCHEMBL682170

SCHEMBL682170

COC(=O)c1cc(C)c(C)cc1NC(=O)Nc1ccc(NC(=O)OC(C)(C)C)cc1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.52
RAF1 P04049 6/20 0.46
ALDH1A1 P00352 3/20 0.46
GAA P10253 2/20 0.46
MAPT P10636 3/20 0.46
RAB9A P51151 2/20 0.46
NPC1 O15118 1/20 0.46
MAPK14 Q16539 7/20 0.46
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA9 Q16790 1/20 0.44
LMNA P02545 2/20 0.43
ATR Q13535 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HPGD P15428 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL8734826 0.91 KDM4E (0.48) KDM4ERAF1ALDH1A1GAAMAPT
SCHEMBL1618336 0.87 ALDH1A1 (0.46) KDM4EALDH1A1GAAMAPTRAB9A
SCHEMBL681262 0.86 KDM4E (0.51) KDM4ERAF1ALDH1A1GAAMAPT
SCHEMBL13362571 0.83 NPC1 (0.56) KDM4ERAF1ALDH1A1GAAMAPT
SCHEMBL507957 0.79 CA12 (0.52) KDM4ERAF1ALDH1A1GAACA12
SCHEMBL4984917 0.79 CA12 (0.52) RAF1ALDH1A1GAAMAPTCA12
SCHEMBL20815536 0.78 MAPT (0.64) KDM4EALDH1A1MAPTRAB9ANPC1
SCHEMBL5477161 0.77 ATR (0.46) KDM4EALDH1A1GAACA12CA1
SCHEMBL31557880 0.77 CYP17A1 (0.51) CA12CA1CA9ATR
SCHEMBL31557915 0.76 CYP17A1 (0.44) KDM4EALDH1A1GAAMAPTRAB9A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120009172-A1 INTRAVENOUS AND ORAL DOSING OF A DIRECT-ACTING AND REVERSIBLE P2Y12 INHIBITOR PORTOLA PHARMACEUTICALS, INC. (US) 2012-01-12 US disclosed
US-8058284-B2 [4-(6-halo-7-substituted-2,4-dioxo-1,4-dihydro-2H-quinazolin-3-yl)-phenyl]-5-chloro-thiophen-2-yl-sulfonylureas and forms and methods related thereto PORTOLA PHARMACEUTICALS, INC. (US) 2011-11-15 US disclosed
US-20090048216-A1 INTRAVENOUS AND ORAL DOSING OF A DIRECT-ACTING AND REVERSIBLE P2Y12 INHIBITOR PORTOLA PHARMACEUTICALS, INC. (US) 2009-02-19 US disclosed
US-20070208045-A1 SUBSTITUTED-(QUINAZOLINYL)PHENYL THIOPHENYL-SULFONYLUREAS, METHODS FOR MAKING AND INTERMEDIATES THEREOF PORTOLA PHARMACEUTICALS, INC. (US) 2007-09-06 US disclosed
US-20070123547-A1 [4-(6-HALO-7-SUBSTITUTED-2,4-DIOXO-1,4-DIHYDRO-2H-QUINAZOLIN-3-YL)-PHENYL]-5-CHLORO-THIOPHEN-2-YL-SULFONYLUREAS AND FORMS AND METHODS RELATED THERETO PORTOLA PHARMACEUTICALS, INC. (US) 2007-05-31 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 (4 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-20090048216-A1 INTRAVENOUS AND ORAL DOSING OF A DIRECT-ACTING AND REVERSIBLE P2Y12 INHIBITOR P2RY12, P2RY11, P2RY13 KDM4E 4459/4885RAF1 3090/4885ALDH1A1 1886/4885
US-20120009172-A1 INTRAVENOUS AND ORAL DOSING OF A DIRECT-ACTING AND REVERSIBLE P2Y12 INHIBITOR P2RY12, P2RY11, P2RY13 KDM4E 4459/4885RAF1 3090/4885ALDH1A1 1886/4885
US-20070208045-A1 SUBSTITUTED-(QUINAZOLINYL)PHENYL THIOPHENYL-SULFONYLUREAS, METHODS FOR MAKING AND INTERMEDIATES THEREOF P2RY4, P2RY6, P2RY13 KDM4E 1862/4885RAF1 1051/4885ALDH1A1 925/4885
US-20070123547-A1 [4-(6-HALO-7-SUBSTITUTED-2,4-DIOXO-1,4-DIHYDRO-2H-QUINAZOLIN-3-YL)-PHENYL]-5-CHLORO-THIOPHEN-2-YL-SULFONYLUREAS AND FORMS AND METHODS RELATED THERETO P2RX7, P2RY1, P2RY6 KDM4E 3098/4885RAF1 1728/4885ALDH1A1 1579/4885

“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.