SCHEMBL1293019

SCHEMBL1293019

CC(C)Oc1ccc(-c2nnc(N)s2)cc1C(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.50
RXRB P28702 1/20 0.50
RXRG P48443 1/20 0.50
S1PR1 P21453 6/20 0.47
S1PR3 Q99500 1/20 0.47
KDM4E B2RXH2 5/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
HPGD P15428 1/20 0.47
PTGS1 P23219 1/20 0.45
PTGS2 P35354 1/20 0.45
ALDH1A1 P00352 4/20 0.43
MAPT P10636 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
TP53 P04637 1/20 0.43
HSD17B10 Q99714 1/20 0.43
CTSS P25774 1/20 0.43
CTSK P43235 1/20 0.43
LMNA P02545 1/20 0.43

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 0.86 RXRA (0.51) RXRARXRBRXRGS1PR1S1PR3
SCHEMBL2605762 0.82 KDM4E (0.53) S1PR1S1PR3KDM4ENPC1RAB9A
SCHEMBL12102353 0.81 SMN1; SMN2 (0.51) S1PR1S1PR3KDM4ENPC1RAB9A
SCHEMBL1293296 0.80 S1PR1 (0.71) S1PR1S1PR3KDM4ENPC1RAB9A
SCHEMBL2115714 0.77 XDH (0.56) S1PR1S1PR3KDM4ENPC1RAB9A
SCHEMBL1293010 0.76 RXRA (0.49) RXRARXRBRXRGS1PR1S1PR3
SCHEMBL1294018 0.75 RXRA (0.51) RXRARXRBRXRGS1PR1CTSS
SCHEMBL1293423 0.73 RXRA (0.49) RXRARXRBRXRGS1PR1S1PR3
SCHEMBL11338379 0.73 GAA (0.50) RXRARXRBRXRGS1PR1S1PR3
SCHEMBL1293124 0.72 S1PR1 (0.49) RXRARXRBRXRGS1PR1S1PR3

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.