SCHEMBL1293010

SCHEMBL1293010

CC(C)Oc1ccc(-c2ncc(Br)s2)cc1C(F)(F)F

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.49
RXRB P28702 1/20 0.49
RXRG P48443 1/20 0.49
SNCA P37840 1/20 0.45
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
CTSS P25774 1/20 0.43
CTSK P43235 1/20 0.43
S1PR1 P21453 14/20 0.40
S1PR3 Q99500 4/20 0.40
S1PR5 Q9H228 3/20 0.40
AAK1 Q2M2I8 2/20 0.39
CYP3A4 P08684 1/20 0.38

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
SCHEMBL1293244 0.82 RXRA (0.51) RXRARXRBRXRGCTSSCTSK
SCHEMBL12102505 0.82 SNCA (0.49) SNCACYP2C9CYP2C19S1PR1S1PR3
SCHEMBL1293465 0.81 S1PR1 (0.59) SNCACYP2C9CYP2C19S1PR1S1PR3
SCHEMBL1293423 0.78 RXRA (0.49) RXRARXRBRXRGCTSSCTSK
SCHEMBL2602128 0.78 SNCA (0.45) SNCACYP2C9CYP2C19S1PR1S1PR3
SCHEMBL1293023 0.78 XDH (0.55) SNCACYP2C9CYP2C19S1PR1S1PR5
SCHEMBL1294018 0.77 RXRA (0.51) RXRARXRBRXRGCYP2C9CYP2C19
SCHEMBL1293019 0.76 RXRA (0.50) RXRARXRBRXRGCTSSCTSK
SCHEMBL1293056 0.72 S1PR1 (0.49) RXRARXRBRXRGCYP2C9CYP2C19
SCHEMBL1293281 0.72 RXRA (0.49) RXRARXRBRXRGCTSSCTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2563785-A1 COMPOUNDS AS AGONISTS OF S1P1 RECEPTORS Glaxo Group Limited (GB) 2013-03-06 EP disclosed
US-8389508-B2 Heterocyclic compounds GLAXO GROUP LIMITED (GB) 2013-03-05 US disclosed
US-8389508-B2 Heterocyclic compounds GLAXO GROUP LIMITED (GB) 2013-03-05 US disclosed
WO-2011134280-A1 COMPOUNDS AS AGONISTS OF S1P1 RECEPTORS GLAXO GROUP LIMITED (GB) 2011-11-03 WO disclosed
WO-2011134280-A1 COMPOUNDS AS AGONISTS OF S1P1 RECEPTORS GLAXO GROUP LIMITED (GB) 2011-11-03 WO disclosed
US-20110269738-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2011-11-03 US disclosed
US-20110269738-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2011-11-03 US 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-20110269738-A1 COMPOUNDS CYP11B2, CYP11B1, GPR119 RXRA 795/4885RXRB 595/4885RXRG 683/4885

“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.