SCHEMBL2432894

SCHEMBL2432894

Cc1cc2c(Cl)c(C#N)ccc2n1S(=O)(=O)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 1/20 0.43
▸ HTR6 P50406 10/20 0.41
▸ MAOA P21397 1/20 0.40
▸ IMPDH2 P12268 1/20 0.40
▸ PTGDR2 Q9Y5Y4 2/20 0.40
▸ PTGDR Q13258 1/20 0.40
▸ SRC P12931 1/20 0.40
▸ DCTPP1 Q9H773 1/20 0.38
▸ CNR2 P34972 1/20 0.38
▸ SLC22A12 Q96S37 1/20 0.38

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
SCHEMBL2431014 0.85 SRC (0.38) HTR6MAOAIMPDH2PTGDR2PTGDR
SCHEMBL2428124 0.83 PPARG (0.43) HTR6MAOAPTGDR2PTGDRSRC
SCHEMBL2432597 0.80 SRC (0.52) BRD4HTR6PTGDR2PTGDRSRC
SCHEMBL12293719 0.80 BRD4 (0.43) BRD4HTR6PTGDR2PTGDRSRC
SCHEMBL2428311 0.74 PTGER1 (0.45) BRD4HTR6PTGDR2PTGDR
SCHEMBL31487098 0.74 GAA (0.47) HTR6
SCHEMBL20657207 0.74 KDM4E (0.43) BRD4HTR6MAOAIMPDH2SRC
SCHEMBL2430763 0.73 BRD4 (0.40) BRD4HTR6PTGDR2PTGDRSRC
SCHEMBL20762057 0.73 BRD4 (0.49) BRD4HTR6PTGDR2PTGDRSRC
SCHEMBL30644285 0.72 PIK3C3 (0.47) BRD4HTR6PTGDR2PTGDRSRC

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 11 patents. 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
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-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-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 BRD4 665/4885HTR6 516/4885MAOA 2725/4885
US-20110301203-A1 CHEMICAL COMPOUNDS AR, NR5A1, ESRRA BRD4 665/4885HTR6 516/4885MAOA 2725/4885
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 BRD4 306/4885HTR6 2127/4885MAOA 4114/4885

“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.

Send feedback