SCHEMBL4768199

SCHEMBL4768199

COc1cc(NC(=O)OC(C)(C)C)c(C)c(OC)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.41
ALDH1A1 P00352 3/20 0.41
NR1I2 O75469 1/20 0.41
CYP1A1 P04798 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP1B1 Q16678 1/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
KDM4E B2RXH2 2/20 0.39
POLB P06746 2/20 0.39
MAPT P10636 4/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 1/20 0.39
LMNA P02545 1/20 0.39
AHR P35869 1/20 0.39
RAB9A P51151 1/20 0.39
TP53 P04637 3/20 0.39
LPAR1 Q92633 1/20 0.39
CYP3A4 P08684 1/20 0.39
ALOX15 P16050 1/20 0.39

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
SCHEMBL4405601 0.84 GAA (0.40) GAAALDH1A1NR1I2CYP1A1CYP1A2
SCHEMBL29514038 0.84 GAA (0.40) GAAALDH1A1NR1I2CYP1A1CYP1A2
SCHEMBL3970186 0.84 ALDH1A1 (0.40) GAAALDH1A1NR1I2CYP1A1CYP1A2
SCHEMBL4768748 0.84 CYP1A1 (0.43) GAAALDH1A1NR1I2CYP1A1CYP1A2
SCHEMBL8035709 0.83 GPR35 (0.45) GAAALDH1A1MEN1KMT2AKDM4E
SCHEMBL8023974 0.83 CNR2 (0.41) GAAALDH1A1MEN1KMT2AKDM4E
SCHEMBL29991362 0.81 GAA (0.60) GAAALDH1A1CYP1A2MEN1KMT2A
SCHEMBL115661 0.81 GAA (0.60) GAAALDH1A1CYP1A2MEN1KMT2A
SCHEMBL2589170 0.81 ALDH1A1 (0.63) GAAALDH1A1CYP1A1CYP1A2CYP1B1
SCHEMBL20922186 0.80 SMN1; SMN2 (0.49) GAAALDH1A1CYP1A1CYP1A2CYP1B1

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-1976847-B1 PYRIMIDINYL ARYL UREA DERIVATIVES BEING FGF INHIBITORS NOVARTIS AG (CH) 2015-06-17 EP disclosed
US-8759517-B2 Pyrirnidinyl aryl urea derivatives being FGF inhibitors NOVARTIS AG (CH) 2014-06-24 US disclosed
US-20130030171-A1 Pyrimidinyl Aryl Urea Derivatives being FGF Inhibitors NOVARTIS AG (CH) 2013-01-31 US disclosed
US-8293746-B2 Pyrimidinyl aryl urea derivatives being FGF inhibitors NOVARTIS AG (CH) 2012-10-23 US disclosed
US-20080312248-A1 Pyrimidinyl Aryl Urea Derivatives Being Fgf Inhibitors NOVARTIS AG 2008-12-18 US disclosed
EP-1976847-A2 PYRIMIDINYL ARYL UREA DERIVATIVES BEING FGF INHIBITORS Novartis AG (CH) 2008-10-08 EP disclosed
WO-2007071752-A2 PYRIMIDINYL ARYL UREA DERIVATIVES BEING FGF INHIBITORS NOVARTIS AG (CH) 2007-06-28 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 (2 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-20080312248-A1 Pyrimidinyl Aryl Urea Derivatives Being Fgf Inhibitors FGFR1, FGF1, FGF2 GAA 788/4885ALDH1A1 910/4885NR1I2 354/4885
US-20130030171-A1 Pyrimidinyl Aryl Urea Derivatives being FGF Inhibitors FGFR1, FGF1, FGF2 GAA 788/4885ALDH1A1 910/4885NR1I2 354/4885

“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.