SCHEMBL981653

SCHEMBL981653

CCSCC(C)(O)c1[nH]c2cc(C(F)(F)F)c([N+](=O)[O-])cc2c1C

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.46
CA9 Q16790 1/20 0.46
PARP1 P09874 1/20 0.44
AR P10275 2/20 0.40
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
PGR P06401 1/20 0.35
CYP3A4 P08684 1/20 0.35

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
SCHEMBL12922672 0.87 MEN1 (0.33) CA12CA9PARP1MEN1KMT2A
SCHEMBL977469 0.81 MEN1 (0.39) ARMEN1KMT2A
SCHEMBL978030 0.79 AR (0.38) ARMEN1KMT2A
SCHEMBL979904 0.79 AR (0.59) AR
SCHEMBL4979663 0.74 CA12 (0.54) CA12CA9PARP1ARPGR
SCHEMBL12330777 0.73 AR (0.46) CA12CA9PARP1ARPGR
SCHEMBL12922671 0.72 MEN1 (0.34) MEN1KMT2A
SCHEMBL978031 0.72 AR (0.51) CA12CA9AR
SCHEMBL980301 0.71 AR (0.59) AR
SCHEMBL12948618 0.71 AR (0.50) CA12CA9AR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9434688-B2 Indole derivatives as selective androgen receptor modulators (SARMS) JANSSEN PHARMACEUTICA NV (BE) 2016-09-06 US disclosed
US-9434688-B2 Indole derivatives as selective androgen receptor modulators (SARMS) JANSSEN PHARMACEUTICA NV (BE) 2016-09-06 US disclosed
EP-2078712-B1 Indole derivatives as selective androgen receptor modulators (sarms) JANSSEN PHARMACEUTICA NV (BE) 2015-06-10 EP disclosed
EP-2078712-B1 Indole derivatives as selective androgen receptor modulators (sarms) JANSSEN PHARMACEUTICA NV (BE) 2015-06-10 EP disclosed
US-20140249197-A1 NOVEL INDOLE DERIVATIVES AS SELECTIVE ANDROGEN RECEPTOR MODULATORS (SARMS) JANSSEN PHARMACEUTICA, NV (BE) 2014-09-04 US disclosed
US-20140249197-A1 NOVEL INDOLE DERIVATIVES AS SELECTIVE ANDROGEN RECEPTOR MODULATORS (SARMS) JANSSEN PHARMACEUTICA, NV (BE) 2014-09-04 US disclosed
EP-1753749-B1 NOVEL INDOLE DERIVATIVES AS SELECTIVE ANDROGEN RECEPTOR MODULATORS (SARMS) JANSSEN PHARMACEUTICA NV (BE) 2014-07-30 EP disclosed
EP-1753749-B1 NOVEL INDOLE DERIVATIVES AS SELECTIVE ANDROGEN RECEPTOR MODULATORS (SARMS) JANSSEN PHARMACEUTICA NV (BE) 2014-07-30 EP disclosed
US-8765782-B2 Indole derivatives as selective androgen receptor modulators (SARMS) JANSSEN PHARMACEUTICA, NV (BE) 2014-07-01 US disclosed
US-8765782-B2 Indole derivatives as selective androgen receptor modulators (SARMS) JANSSEN PHARMACEUTICA, NV (BE) 2014-07-01 US disclosed
US-7288553-B2 Indole derivatives as selective androgen receptor modulator (SARMS) JANSSEN PHARMACEUTICA N.V. (BE) 2007-10-30 US disclosed
US-7282507-B2 Indole derivatives as selective androgen receptor modulators (SARMS) JANSSEN PHARMACEUTICA N.V. (BE) 2007-10-16 US disclosed
US-7282507-B2 Indole derivatives as selective androgen receptor modulators (SARMS) JANSSEN PHARMACEUTICA N.V. (BE) 2007-10-16 US disclosed
US-7282507-B2 Indole derivatives as selective androgen receptor modulators (SARMS) JANSSEN PHARMACEUTICA N.V. (BE) 2007-10-16 US disclosed
EP-1756109-A1 NOVEL INDOLE DERIVATIVES AS SELECTIVE ANDROGEN RECEPTOR MODULATORS (SARMS) JANSSEN PHARMACEUTICA N.V. (BE) 2007-02-28 EP disclosed
EP-1753749-A1 NOVEL INDOLE DERIVATIVES AS SELECTIVE ANDROGEN RECEPTOR MODULATORS (SARMS) JANSSEN PHARMACEUTICA N.V. (BE) 2007-02-21 EP disclosed
WO-2005111042-A1 NOVEL INDOLE DERIVATIVES AS SELECTIVE ANDROGEN RECEPTOR MODULATORS (SARMS) JANSSEN PHARMACEUTICA N.V. (BE) 2005-11-24 WO disclosed
WO-2005111028-A1 NOVEL INDOLE DERIVATIVES AS SELECTIVE ANDROGEN RECEPTOR MODULATORS (SARMS) JANSSEN PHARMACEUTICA N.V. (BE) 2005-11-24 WO disclosed
US-20050250740-A1 Novel indole derivatives as selective androgen receptor modulator (SARMS) JANSSEN PHARMACEUTICA N.V. (BE) 2005-11-10 US disclosed
US-20050245485-A1 Novel indole derivatives as selective androgen receptor modulators (SARMS) JANSSEN PHARMACEUTICA N.V. (BE) 2005-11-03 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 (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-20140249197-A1 NOVEL INDOLE DERIVATIVES AS SELECTIVE ANDROGEN RECEPTOR MODULATORS (SARMS) AR, NR5A1, NR5A2 CA12 4545/4885CA9 4353/4885PARP1 2283/4885
US-20050245485-A1 Novel indole derivatives as selective androgen receptor modulators (SARMS) AR, NR5A1, NR5A2 CA12 4545/4885CA9 4353/4885PARP1 2283/4885
US-20050250740-A1 Novel indole derivatives as selective androgen receptor modulator (SARMS) AR, NR5A1, NR5A2 CA12 4554/4885CA9 4299/4885PARP1 2348/4885

“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.