SCHEMBL15544927

SCHEMBL15544927

Cc1ccc(COC(=O)N2C=Cc3ncsc3C2)c(C)c1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 2/20 0.41
KDM4A O75164 1/20 0.35
KDM5A P29375 1/20 0.35
KDM2B Q8NHM5 1/20 0.35
KDM4C Q9H3R0 1/20 0.35
KDM5B Q9UGL1 1/20 0.35
GRIN2B Q13224 3/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.31
LMNA P02545 3/20 0.31
MAPT P10636 2/20 0.31
POLB P06746 1/20 0.31
HTT P42858 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 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
SCHEMBL15543734 0.82 PTGDR2 (0.41) PTGDR2KDM5AKDM4CKDM5BGRIN2B
SCHEMBL15544125 0.80 PTGDR2 (0.42) PTGDR2
SCHEMBL15544581 0.80 GRIN2B (0.41) PTGDR2GRIN2BL3MBTL1SMN1; SMN2LMNA
SCHEMBL15545593 0.79 PTGDR2 (0.45) PTGDR2
SCHEMBL15543943 0.78 P2RX4 (0.40) PTGDR2GRIN2BL3MBTL1SMN1; SMN2MAPT
SCHEMBL15546005 0.78 PTGDR2 (0.41) PTGDR2GRIN2B
SCHEMBL15545181 0.78 PTGDR2 (0.43) PTGDR2L3MBTL1
SCHEMBL15544325 0.76 GRIN2B (0.39) PTGDR2GRIN2BLMNAMAPTMEN1
SCHEMBL15545036 0.76 PTGDR2 (0.39) PTGDR2L3MBTL1SMN1; SMN2MAPTPOLB
SCHEMBL15545093 0.76 PTGDR2 (0.38) PTGDR2L3MBTL1SMN1; SMN2MAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9169270-B2 1-phenyl-substituted heterocyclyl derivatives and their use as prostaglandin D2 receptor modulators ACTELION PHARMACEUTICALS LTD. (CH) 2015-10-27 US disclosed
EP-2885307-A1 1-PHENYL-SUBSTITUTED HETEROCYCLYL DERIVATIVES AND THEIR USE AS PROSTAGLANDIN D2 RECEPTOR MODULATORS Actelion Pharmaceuticals Ltd. (CH) 2015-06-24 EP disclosed
US-20150158883-A1 1-PHENYL-SUBSTITUTED HETEROCYCLYL DERIVATIVES AND THEIR USE AS PROSTAGLANDIN D2 RECEPTOR MODULATORS ACTELION PHARMACEUTICAL LTD. (CH) 2015-06-11 US disclosed
WO-2014006585-A1 1-PHENYL-SUBSTITUTED HETEROCYCLYL DERIVATIVES AND THEIR USE AS PROSTAGLANDIN D2 RECEPTOR MODULATORS ACTELION PHARMACEUTICALS LTD (CH) 2014-01-09 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-20150158883-A1 1-PHENYL-SUBSTITUTED HETEROCYCLYL DERIVATIVES AND THEIR USE AS PROSTAGLANDIN D2 RECEPTOR MODULATORS PTGER1, PTGDR, PTGDR2 PTGDR2 3/4885KDM4A 3564/4885KDM5A 3510/4885

“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.