SCHEMBL1986107

SCHEMBL1986107

Fc1ccc2c(c1)SCc1c-2[nH]c2ccc(F)cc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.54
ALOX15 P16050 1/20 0.54
KMT2A Q03164 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA4 P22748 1/20 0.47
CA6 P23280 1/20 0.47
GSK3B P49841 3/20 0.46
CDK5 Q00535 3/20 0.46
CDK5R1 Q15078 3/20 0.46
CDK1 P06493 2/20 0.46
CCNB2 O95067 1/20 0.46
CCNB1 P14635 1/20 0.46
CCNB3 Q8WWL7 1/20 0.46
MAPK10 P53779 1/20 0.43
RIPK1 Q13546 1/20 0.43
GSK3A P49840 2/20 0.43
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL1987408 0.89 MEN1 (0.71) MEN1ALOX15KMT2ATDP1CA1
SCHEMBL15497465 0.87 TDP1 (0.45) MEN1ALOX15KMT2ATDP1CA1
SCHEMBL1986183 0.87 CA1 (0.45) MEN1ALOX15KMT2ATDP1CA1
SCHEMBL1987181 0.79 MEN1 (0.54) MEN1ALOX15KMT2ATDP1CA1
SCHEMBL1987063 0.77 MEN1 (0.45) MEN1ALOX15KMT2ATDP1CA1
SCHEMBL12602356 0.77 MEN1 (0.42) MEN1ALOX15KMT2ATDP1CA1
SCHEMBL1987936 0.76 MEN1 (0.50) MEN1ALOX15KMT2ATDP1CA1
SCHEMBL1987355 0.72 CCNB2 (0.59) MEN1ALOX15KMT2ATDP1CA1
SCHEMBL1985243 0.71 MEN1 (0.71) MEN1ALOX15KMT2ATDP1CA1
SCHEMBL1986592 0.71 MEN1 (0.71) MEN1ALOX15KMT2ATDP1CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9303037-B2 Tetracyclic heteroatom containing derivatives useful as sex steroid hormone receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2016-04-05 US disclosed
US-9303037-B2 Tetracyclic heteroatom containing derivatives useful as sex steroid hormone receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2016-04-05 US disclosed
US-20140066479-A1 NOVEL TETRACYCLIC HETEROATOM CONTAINING DERIVATIVES USEFUL AS SEX STEROID HORMONE RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2014-03-06 US disclosed
US-20140066479-A1 NOVEL TETRACYCLIC HETEROATOM CONTAINING DERIVATIVES USEFUL AS SEX STEROID HORMONE RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2014-03-06 US disclosed
EP-1796664-B1 NOVEL TETRACYCLIC HETEROATOM CONTAINING DERIVATIVES USEFUL AS SEX STEROID HORMONE RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2013-11-27 EP disclosed
US-8580840-B2 Tetracyclic heteroatom containing derivatives useful as sex steroid hormone receptor modulators JANSSEN PHARMACEUTICA, NV (BE) 2013-11-12 US disclosed
US-8580840-B2 Tetracyclic heteroatom containing derivatives useful as sex steroid hormone receptor modulators JANSSEN PHARMACEUTICA, NV (BE) 2013-11-12 US disclosed
US-8580840-B2 Tetracyclic heteroatom containing derivatives useful as sex steroid hormone receptor modulators JANSSEN PHARMACEUTICA, NV (BE) 2013-11-12 US disclosed
US-8318766-B2 Tetracyclic heteroatom containing derivatives useful as sex steroid hormone receptor modulators JANSSEN PHARMACEUTICA N.V. (BE) 2012-11-27 US disclosed
US-8318766-B2 Tetracyclic heteroatom containing derivatives useful as sex steroid hormone receptor modulators JANSSEN PHARMACEUTICA N.V. (BE) 2012-11-27 US disclosed
US-20080114048-A1 NOVEL TETRACYCLIC HETEROATOM CONTAINING DERIVATIVES USEFUL AS SEX STEROID HORMONE RECEPTOR MODULATORS SUI ZHIHUA 2008-05-15 US disclosed
US-20080114048-A1 NOVEL TETRACYCLIC HETEROATOM CONTAINING DERIVATIVES USEFUL AS SEX STEROID HORMONE RECEPTOR MODULATORS SUI ZHIHUA 2008-05-15 US disclosed
US-20080114048-A1 NOVEL TETRACYCLIC HETEROATOM CONTAINING DERIVATIVES USEFUL AS SEX STEROID HORMONE RECEPTOR MODULATORS SUI ZHIHUA 2008-05-15 US disclosed
US-7338973-B2 Tetracyclic heteroatom containing derivatives useful as sex steroid hormone receptor modulators JANSSEN PHARMACEUTICA N.V. (BE) 2008-03-04 US disclosed
US-7338973-B2 Tetracyclic heteroatom containing derivatives useful as sex steroid hormone receptor modulators JANSSEN PHARMACEUTICA N.V. (BE) 2008-03-04 US disclosed
US-7338973-B2 Tetracyclic heteroatom containing derivatives useful as sex steroid hormone receptor modulators JANSSEN PHARMACEUTICA N.V. (BE) 2008-03-04 US disclosed
EP-1796664-A1 NOVEL TETRACYCLIC HETEROATOM CONTAINING DERIVATIVES USEFUL AS SEX STEROID HORMONE RECEPTOR MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2007-06-20 EP disclosed
US-20060116415-A1 Novel tetracyclic heteroatom containing derivatives useful as sex steroid hormone receptor modulators JANSSEN PHARMACEUTICA N.V. (BE) 2006-06-01 US disclosed
US-20060116513-A1 Novel tetracyclic heteroatom containing derivatives useful as sex steroid hormone receptor modulators JANSSEN PHARMACEUTICA N.V. (BE) 2006-06-01 US disclosed
WO-2006047017-A1 NOVEL TETRACYCLIC HETEROATOM CONTAINING DERIVATIVES USEFUL AS SEX STEROID HORMONE RECEPTOR MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2006-05-04 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 (4 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-20060116415-A1 Novel tetracyclic heteroatom containing derivatives useful as sex steroid hormone receptor modulators NR5A1, ESRRA, SHBG MEN1 2881/4885ALOX15 2436/4885KMT2A 2260/4885
US-20060116513-A1 Novel tetracyclic heteroatom containing derivatives useful as sex steroid hormone receptor modulators NR5A1, ESRRA, SHBG MEN1 2881/4885ALOX15 2436/4885KMT2A 2260/4885
US-20140066479-A1 NOVEL TETRACYCLIC HETEROATOM CONTAINING DERIVATIVES USEFUL AS SEX STEROID HORMONE RECEPTOR MODULATORS NR5A1, ESRRA, SHBG MEN1 2881/4885ALOX15 2436/4885KMT2A 2260/4885
US-20080114048-A1 NOVEL TETRACYCLIC HETEROATOM CONTAINING DERIVATIVES USEFUL AS SEX STEROID HORMONE RECEPTOR MODULATORS NR5A1, ESRRA, SHBG MEN1 2881/4885ALOX15 2436/4885KMT2A 2260/4885

“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.