SCHEMBL327474

SCHEMBL327474

Cc1nc(C)c([C@@H]2C[C@H]2C(=O)O)s1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.37
FFAR1 O14842 8/20 0.36
FFAR4 Q5NUL3 2/20 0.34
NR4A2 P43354 2/20 0.33
RXRA P19793 1/20 0.33
RXRB P28702 1/20 0.33
RXRG P48443 1/20 0.33
RECQL P46063 1/20 0.33
RAB9A P51151 1/20 0.33
HSD11B1 P28845 1/20 0.33
GAA P10253 1/20 0.33
ALDH1A1 P00352 2/20 0.31
MEN1 O00255 1/20 0.31
POLB P06746 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
LMNA P02545 1/20 0.30
HTT P42858 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
SCHEMBL327473 1.00 CNR1 (0.37) CNR1FFAR1FFAR4NR4A2RXRA
SCHEMBL14709066 0.71 KDM4E (0.44) FFAR1FFAR4NR4A2RXRARXRB
SCHEMBL27893969 0.71 KDM4E (0.44) FFAR1FFAR4NR4A2RXRARXRB
SCHEMBL29302278 0.64 ALDH1A1 (0.48) FFAR1NR4A2RXRARXRBRXRG
SCHEMBL5347223 0.63 FFAR1 (0.44) FFAR1FFAR4NR4A2RXRARXRB
SCHEMBL27347920 0.62 TRPM5 (0.46) FFAR1NR4A2RXRARXRBRXRG
SCHEMBL18983925 0.62 CHRM2 (0.43) FFAR1NR4A2RXRARXRBRXRG
SCHEMBL17558315 0.62 CHRM2 (0.43) FFAR1NR4A2RXRARXRBRXRG
SCHEMBL925227 0.62 CDK4 (0.33) RAB9AALDH1A1SMN1; SMN2LMNAHTT
SCHEMBL17159262 0.61 FFAR1 (0.39) FFAR1ALDH1A1MEN1KMT2A

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 CNR1 21/4885FFAR1 50/4885FFAR4 147/4885

“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.