SCHEMBL13745226

SCHEMBL13745226

CC(F)(F)C1Cc2c(ccc(C#N)c2C(F)(F)F)N1Cc1noc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.38
S1PR1 P21453 13/20 0.37
S1PR3 Q99500 2/20 0.37
S1PR4 O95977 1/20 0.37
CYP2C9 P11712 1/20 0.37
S1PR5 Q9H228 1/20 0.37
PPARG P37231 4/20 0.33
PPARA Q07869 4/20 0.33
PPARD Q03181 1/20 0.33
TSHR P16473 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CTSS P25774 1/20 0.31
CTSK P43235 1/20 0.31

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
SCHEMBL13745461 0.93 AR (0.40) ARPPARGPPARAPPARDSMN1; SMN2
SCHEMBL2427383 0.90 AR (0.41) ARS1PR1S1PR3S1PR4CYP2C9
SCHEMBL12327123 0.86 AR (0.37) ARS1PR1S1PR3S1PR4CYP2C9
SCHEMBL13744925 0.86 AR (0.37) ARS1PR1S1PR3S1PR4CYP2C9
SCHEMBL12327803 0.85 L3MBTL1 (0.40) ARPPARGPPARAPPARDSMN1; SMN2
SCHEMBL2438639 0.82 AR (0.42) ARPPARGPPARAPPARDSMN1; SMN2
SCHEMBL13744882 0.79 L3MBTL1 (0.39) ARPPARGPPARAPPARDSMN1; SMN2
SCHEMBL13744857 0.79 AR (0.38) ARTSHRSMN1; SMN2CTSSCTSK
SCHEMBL13663661 0.78 CYP11B1 (0.37) ARS1PR1
SCHEMBL12327568 0.78 AR (0.38) ARPPARGPPARAPPARDSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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

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-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 AR 1/4885S1PR1 1236/4885S1PR3 1064/4885

“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.