SCHEMBL16398239

SCHEMBL16398239

CCOC(=O)c1cc(COCC(F)(F)F)nc(Cl)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.39
GAA P10253 1/20 0.38
S1PR2 O95136 1/20 0.38
ALDH1A1 P00352 7/20 0.37
KDM4E B2RXH2 4/20 0.37
HPGD P15428 2/20 0.37
HSD17B10 Q99714 1/20 0.37
MRGPRX4 Q96LA9 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
ATF1 P18846 1/20 0.36
NFKB1 P19838 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
NPC1 O15118 2/20 0.35
MAPT P10636 2/20 0.35
RAB9A P51151 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
POLB P06746 2/20 0.34
MAPK1 P28482 1/20 0.34

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
SCHEMBL16397702 0.85 ALDH1A1 (0.31) ALDH1A1MRGPRX4
SCHEMBL16398124 0.82 KDM4E (0.42) GAAALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL25136323 0.79 CYP1A2 (0.45) CYP1A2GAAS1PR2ALDH1A1KDM4E
SCHEMBL16397727 0.74 ALDH1A1 (0.34) ALDH1A1SMN1; SMN2
SCHEMBL917429 0.73 CYP1A2 (0.51) CYP1A2S1PR2ALDH1A1KDM4EHPGD
SCHEMBL16506338 0.73 CYP1A2 (0.51) CYP1A2S1PR2ALDH1A1KDM4ENPSR1
SCHEMBL16397831 0.73 TACR1 (0.36) ALDH1A1ATF1NFKB1
SCHEMBL16398516 0.73 RAB9A (0.30) RAB9A
SCHEMBL16398280 0.73
SCHEMBL15931933 0.73 RAB9A (0.43) CYP1A2GAAALDH1A1KDM4EHPGD

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 9 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
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 CYP1A2 1415/4885GAA 18/4885S1PR2 2389/4885

“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.