SCHEMBL13745321

SCHEMBL13745321

COC(=O)Cn1c(C)cc2c(C(F)(F)F)c(C#N)ccc21

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AR P10275 11/20 0.61
PGR P06401 6/20 0.61
POLB P06746 1/20 0.43
HSD17B10 Q99714 2/20 0.42
MAPT P10636 4/20 0.40
ALDH1A1 P00352 2/20 0.40
LMNA P02545 1/20 0.40
HK1 P19367 1/20 0.40
HKDC1 Q2TB90 1/20 0.40
KDM4E B2RXH2 1/20 0.39
CYP1A2 P05177 1/20 0.39
GLA P06280 1/20 0.39
CYP3A4 P08684 1/20 0.39
GAA P10253 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
RAB9A P51151 1/20 0.38
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL4551582 0.89 AR (0.54) ARPGRALDH1A1KDM4EGLA
SCHEMBL2427464 0.88 AR (0.61) ARPGRPOLBMAPTKDM4E
SCHEMBL2430414 0.87 AR (0.58) ARPGRALDH1A1KDM4ECYP1A2
SCHEMBL2429053 0.86 AR (0.57) ARPGRALDH1A1CYP1A2CYP3A4
SCHEMBL2434323 0.84 AR (0.57) ARPGRHSD17B10MAPTALDH1A1
SCHEMBL2431507 0.82 AR (0.63) ARPGRALDH1A1LMNAKDM4E
SCHEMBL2431227 0.82 AR (0.55) ARPGR
SCHEMBL16473053 0.81 AR (0.56) ARPGRPOLBHSD17B10ALDH1A1
SCHEMBL2431787 0.80 AR (0.55) ARPGRHSD17B10ALDH1A1GAA
SCHEMBL12293320 0.80 HSD17B10 (0.40) ARPGRHSD17B10MAPTALDH1A1

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 6 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-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
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 (2 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-20110301203-A1 CHEMICAL COMPOUNDS AR, NR5A1, ESRRA AR 1/4885PGR 49/4885POLB 4296/4885
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 AR 1/4885PGR 48/4885POLB 4293/4885

“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.