SCHEMBL2431584

SCHEMBL2431584

FC(F)(F)c1cc(-c2nc(CCl)no2)cc(C(F)(F)F)c1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 12/20 0.54
S1PR3 Q99500 2/20 0.54
L3MBTL1 Q9Y468 2/20 0.44
MAPT P10636 1/20 0.44
MAPK1 P28482 1/20 0.44
PPARG P37231 4/20 0.43
PPARA Q07869 4/20 0.43
PPARD Q03181 1/20 0.43
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL1544643 0.85 L3MBTL1 (0.61) S1PR1S1PR3L3MBTL1MAPTMAPK1
SCHEMBL14541587 0.84 S1PR1 (0.54) S1PR1S1PR3L3MBTL1MAPTMAPK1
SCHEMBL282099 0.84 LMNA (0.54) S1PR1S1PR3L3MBTL1MAPTMAPK1
SCHEMBL2434346 0.78 GRM5 (0.45) L3MBTL1MAPTPPARGPPARAPPARD
SCHEMBL2431436 0.75 MPL (0.42) S1PR1S1PR3L3MBTL1MAPTMAPK1
SCHEMBL10094745 0.75 LMNA (0.62) S1PR1S1PR3MAPTNPC1RAB9A
SCHEMBL1544182 0.73 NPC1 (0.42) S1PR1L3MBTL1MAPTMAPK1PPARG
SCHEMBL1221908 0.72 S1PR1 (0.41) S1PR1S1PR3L3MBTL1MAPTPPARD
SCHEMBL1545207 0.71 NOTUM (0.51) L3MBTL1MAPTMAPK1PPARGPPARA
SCHEMBL1850589 0.71 S1PR1 (0.44) S1PR1S1PR3L3MBTL1MAPTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8673948-B2 Chemical compounds GlaxoSmithKline, LLC (US) 2014-03-18 US disclosed
EP-2079466-B1 SUBSTITUTED INDOLE COMPOUNDS GLAXOSMITHKLINE LLC (US) 2014-01-15 EP disclosed
US-20110301203-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2011-12-08 US disclosed
US-8026262-B2 Chemical compounds GLAXOSMITHKLINE LLC (US) 2011-09-27 US disclosed
US-20090264482-A1 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2009-10-22 US disclosed
US-7572820-B2 3-(2-methyl-4-(trifluoromethyl)-5-cyano-indol-1-yl-methyl)-5-(3-(trifluoromethyl)phenyl)-1,2,4-oxadiazole or salt thereof; hypogonadism, sarcopenia, osteoporosis, wasting diseases, cancer cachexia, frailty, prostatic hyperplasia, prostate cancer, breast cancer; selective androgen receptor modulators SMITHKLINE BEECHAM CORPORATION (US) 2009-08-11 US disclosed
EP-2079466-A2 SUBSTITUTED INDOLE COMPOUNDS SmithKline Beecham Corporation (US) 2009-07-22 EP disclosed
US-20080139631-A1 3-(2-methyl-4-(trifluoromethyl)-5-cyano-indol-1-yl-methyl)-5-(3-(trifluoromethyl)phenyl)-1,2,4-oxadiazole or salt thereof; hypogonadism, sarcopenia, osteoporosis, wasting diseases, cancer cachexia, frailty, prostatic hyperplasia, prostate cancer, breast cancer; selective androgen receptor modulators SMITHKLINE BEECHAM CORPORATION (US) 2008-06-12 US disclosed
WO-2008042571-A2 SUBSTITUTED INDOLE COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2008-04-10 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 (3 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-20090264482-A1 CHEMICAL COMPOUNDS AR, NR5A1, ESRRA S1PR1 1609/4885S1PR3 1280/4885L3MBTL1 4589/4885
US-20110301203-A1 CHEMICAL COMPOUNDS AR, NR5A1, ESRRA S1PR1 1609/4885S1PR3 1280/4885L3MBTL1 4589/4885
US-20080139631-A1 3-(2-methyl-4-(trifluoromethyl)-5-cyano-indol-1-yl-methyl)-5-(3-(trifluoromethyl)phenyl)-1,2,4-oxadiazole or salt thereof; hypogonadism, sarcopenia, osteoporosis, wasting diseases, cancer cachexia, frailty, prostatic hyperplasia, prostate cancer, breast cancer; selective androgen receptor modulators AR, NR5A1, NR3C2 S1PR1 1236/4885S1PR3 1064/4885L3MBTL1 1539/4885

“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.