SCHEMBL16397702

SCHEMBL16397702

C=C(OCC)c1cc(COCC(F)(F)F)nc(Cl)n1

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.31
MRGPRX4 Q96LA9 1/20 0.30

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
SCHEMBL16398280 0.88
SCHEMBL16398516 0.88 RAB9A (0.30)
SCHEMBL16398239 0.85 CYP1A2 (0.39) ALDH1A1MRGPRX4
SCHEMBL16397921 0.81 ALDH1A1 (0.34) ALDH1A1
SCHEMBL16398384 0.79 HTR2A (0.31)
SCHEMBL25136149 0.79 HPGD (0.37) ALDH1A1
SCHEMBL16397845 0.78 GLP1R (0.31)
SCHEMBL16398124 0.78 KDM4E (0.42) ALDH1A1
SCHEMBL17728109 0.78
SCHEMBL16398101 0.77 GLP1R (0.34) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3004079-B1 PYRIMIDINE COMPOUNDS AND THEIR USE AS GAMMA SECRETASE MODULATORS ACTURUM REAL ESTATE AB (SE) 2018-01-17 EP disclosed
EP-3004079-B1 PYRIMIDINE COMPOUNDS AND THEIR USE AS GAMMA SECRETASE MODULATORS ACTURUM REAL ESTATE AB (SE) 2018-01-17 EP disclosed
US-9439904-B2 Pyrimidine compounds and their use as gamma secretase modulators Acturum Life Science AB (SE) 2016-09-13 US disclosed
US-9439904-B2 Pyrimidine compounds and their use as gamma secretase modulators Acturum Life Science AB (SE) 2016-09-13 US disclosed
US-9439904-B2 Pyrimidine compounds and their use as gamma secretase modulators Acturum Life Science AB (SE) 2016-09-13 US disclosed
US-20160129002-A1 PYRIMIDINE COMPOUNDS AND THEIR USE AS GAMMA SECRETASE MODULATORS Acturum Life Science AB (SE) 2016-05-12 US disclosed
US-20160129002-A1 PYRIMIDINE COMPOUNDS AND THEIR USE AS GAMMA SECRETASE MODULATORS Acturum Life Science AB (SE) 2016-05-12 US disclosed
US-20160129002-A1 PYRIMIDINE COMPOUNDS AND THEIR USE AS GAMMA SECRETASE MODULATORS Acturum Life Science AB (SE) 2016-05-12 US disclosed
EP-3004079-A1 PYRIMIDINE COMPOUNDS AND THEIR USE AS GAMMA SECRETASE MODULATORS Acturum Life Science AB (SE) 2016-04-13 EP disclosed
WO-2014195323-A1 PYRIMIDINE COMPOUNDS AND THEIR USE AS GAMMA SECRETASE MODULATORS Acturum Life Science AB (SE) 2014-12-11 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-20160129002-A1 PYRIMIDINE COMPOUNDS AND THEIR USE AS GAMMA SECRETASE MODULATORS BACE1, BACE2, APP ALDH1A1 1476/4885MRGPRX4 2835/4885

“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.