SCHEMBL1618336

SCHEMBL1618336

COC(=O)c1cc(C)c(C)cc1NC(=O)Oc1ccc(NC(=O)OC(C)(C)C)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.46
KDM4E B2RXH2 5/20 0.46
GAA P10253 3/20 0.46
HPGD P15428 2/20 0.46
ATM Q13315 2/20 0.46
GLA P06280 1/20 0.46
CYP1A2 P05177 1/20 0.44
LIPE Q05469 1/20 0.43
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PPARG P37231 1/20 0.41
PPARA Q07869 1/20 0.41
MAPT P10636 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA9 Q16790 1/20 0.41
POLB P06746 1/20 0.41
CYP2D6 P10635 1/20 0.41

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
SCHEMBL1619890 0.87 ALDH1A1 (0.49) ALDH1A1KDM4EGAAHPGDATM
SCHEMBL682170 0.87 KDM4E (0.52) ALDH1A1KDM4EGAAHPGDSMN1; SMN2
SCHEMBL8734826 0.78 KDM4E (0.48) ALDH1A1KDM4EGAAHTTSMN1; SMN2
SCHEMBL5477161 0.77 ATR (0.46) ALDH1A1KDM4EGAAHPGDATM
SCHEMBL682171 0.76 GAA (0.57) ALDH1A1KDM4EGAAHPGDATM
SCHEMBL507957 0.76 CA12 (0.52) ALDH1A1KDM4EGAASMN1; SMN2CA12
SCHEMBL4984917 0.76 CA12 (0.52) ALDH1A1GAAHTTSMN1; SMN2MAPT
SCHEMBL28734163 0.75 KDM4E (0.48) ALDH1A1KDM4EGAAHPGDATM
SCHEMBL29679253 0.75 KDM4E (0.48) ALDH1A1KDM4EGAAHPGDATM
SCHEMBL27969536 0.75 KDM4E (0.51) ALDH1A1KDM4EGAAHPGDGLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120088736-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) 2012-04-12 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 (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-20120088736-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 ALDH1A1 1579/4885KDM4E 3098/4885GAA 998/4885

“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.