SCHEMBL2432342

SCHEMBL2432342

CCOC(=O)c1cc2c(Cl)c(OS(=O)(=O)C(F)(F)F)ccc2n1CC(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.38
▸ ALDH1A1 P00352 6/20 0.38
▸ ADORA1 P30542 1/20 0.36
▸ MAPT P10636 8/20 0.36
▸ KDM4E B2RXH2 6/20 0.36
▸ POLB P06746 4/20 0.36
▸ TDP1 Q9NUW8 4/20 0.36
▸ MAPK1 P28482 2/20 0.36
▸ TSHR P16473 2/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ ATM Q13315 1/20 0.36
▸ LMNA P02545 2/20 0.35
▸ PKM P14618 2/20 0.35
▸ GAA P10253 1/20 0.35
▸ NOD2 Q9HC29 2/20 0.35
▸ NOD1 Q9Y239 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ ELANE P08246 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL15579809 0.83 MAPT (0.41) KMT2AALDH1A1MAPTKDM4EPOLB
SCHEMBL2428544 0.82 ALDH1A1 (0.42) ALDH1A1MAPTKDM4EPOLBTDP1
SCHEMBL14231566 0.81 F10 (0.39) KMT2AALDH1A1MAPTKDM4EPOLB
SCHEMBL12292677 0.78 MAPT (0.38) KMT2AALDH1A1MAPTKDM4EPOLB
SCHEMBL2432399 0.78 MAPT (0.41) ALDH1A1MAPTKDM4EPOLBTDP1
SCHEMBL13745469 0.77 EPAS1 (0.32) —
SCHEMBL19343831 0.75 L3MBTL1 (0.41) ALDH1A1KDM4EL3MBTL1HSD17B10
SCHEMBL14231567 0.74 MAPT (0.42) KMT2AALDH1A1MAPTKDM4EPOLB
SCHEMBL2433850 0.73 METAP2 (0.40) KMT2AALDH1A1MAPTKDM4EPOLB
SCHEMBL24036358 0.72 F10 (0.45) KMT2AALDH1A1MAPTKDM4EPOLB

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8673948-B2 Chemical compounds GlaxoSmithKline, LLC (US) 2014-03-18 — — US disclosed
US-8673948-B2 Chemical compounds GlaxoSmithKline, LLC (US) 2014-03-18 — — US disclosed
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
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-20110301203-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2011-12-08 — — US 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-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
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-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
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
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
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 KMT2A 2331/4885ALDH1A1 671/4885ADORA1 1132/4885
US-20110301203-A1 CHEMICAL COMPOUNDS AR, NR5A1, ESRRA KMT2A 2331/4885ALDH1A1 671/4885ADORA1 1132/4885
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 KMT2A 812/4885ALDH1A1 3006/4885ADORA1 1369/4885

“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.

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