SCHEMBL324255

SCHEMBL324255

COc1ncc(C)cc1[O]

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC13A5 Q86YT5 2/20 0.40
SLC13A2 Q13183 1/20 0.40
SLC13A3 Q8WWT9 1/20 0.40
MKNK1 Q9BUB5 1/20 0.37
MKNK2 Q9HBH9 1/20 0.37
CCR1 P32246 1/20 0.35
CCR5 P51681 1/20 0.35
CCR8 P51685 1/20 0.35
NOS3 P29474 1/20 0.35
NOS1 P29475 1/20 0.35
NOS2 P35228 1/20 0.35
MAPT P10636 1/20 0.34
CASP1 P29466 1/20 0.34
NNMT P40261 1/20 0.34
KAT2B Q92831 1/20 0.34
AURKA O14965 1/20 0.33
TTK P33981 1/20 0.33
AURKB Q96GD4 1/20 0.33
INCENP Q9NQS7 1/20 0.33
ATM Q13315 1/20 0.33

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
SCHEMBL29823245 0.77 NOS3 (0.48) SLC13A5SLC13A2SLC13A3MKNK1MKNK2
SCHEMBL12093552 0.77 NOS3 (0.48) SLC13A5SLC13A2SLC13A3MKNK1MKNK2
SCHEMBL10084731 0.76 ACHE (0.44) SLC13A5SLC13A2SLC13A3MKNK1MKNK2
SCHEMBL12093547 0.75 SLC13A5 (0.51) SLC13A5SLC13A2SLC13A3MKNK1MKNK2
SCHEMBL324256 0.74 KDM4E (0.40) SLC13A5SLC13A2SLC13A3MKNK1MKNK2
SCHEMBL1845695 0.74 SLC13A5 (0.37) SLC13A5SLC13A2SLC13A3MKNK1MKNK2
SCHEMBL91467 0.74 MAPT (0.55) SLC13A5SLC13A2SLC13A3MKNK1MKNK2
SCHEMBL31596393 0.74 KDM4E (0.40) SLC13A5SLC13A2SLC13A3MKNK1MKNK2
SCHEMBL12903271 0.74 SLC13A5 (0.37) SLC13A5SLC13A2SLC13A3MKNK1MKNK2
SCHEMBL4150226 0.74 PIK3CA (0.45) SLC13A5SLC13A2SLC13A3MKNK1MKNK2

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
EP-2590944-B1 1-PHENYL-SUBSTITUTED HETEROCYCLYL DERIVATIVES AND THEIR USE AS PROSTAGLANDIN D2 RECEPTOR MODULATORS ACTELION PHARMACEUTICALS LTD (CH) 2015-09-30 EP disclosed
US-8575158-B2 1-phenyl-substituted heterocyclyl derivatives and their use as prostaglandin D2 receptor modulators ACTELION PHARMACEUTICALS LTD. (CH) 2013-11-05 US disclosed
EP-2590944-A1 1-PHENYL-SUBSTITUTED HETEROCYCLYL DERIVATIVES AND THEIR USE AS PROSTAGLANDIN D2 RECEPTOR MODULATORS Actelion Pharmaceuticals Ltd. (CH) 2013-05-15 EP disclosed
US-20130109685-A1 1-PHENYL-SUBSTITUTED HETEROCYCLYL DERIVATIVES AND THEIR USE AS PROSTAGLANDIN D2 RECEPTOR MODULATORS ACTELION PHARMACEUTICALS LTD. (CH) 2013-05-02 US disclosed
WO-2012004722-A1 1-PHENYL-SUBSTITUTED HETEROCYCLYL DERIVATIVES AND THEIR USE AS PROSTAGLANDIN D2 RECEPTOR MODULATORS ACTELION PHARMACEUTICALS LTD (CH) 2012-01-12 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-20130109685-A1 1-PHENYL-SUBSTITUTED HETEROCYCLYL DERIVATIVES AND THEIR USE AS PROSTAGLANDIN D2 RECEPTOR MODULATORS PTGER1, PTGDR, PTGDR2 SLC13A5 3701/4885SLC13A2 3592/4885SLC13A3 3537/4885

“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.