SCHEMBL5652170

SCHEMBL5652170

Cc1cc(N(CC(F)(F)F)CC(F)(F)F)ccc1[N+](=O)[O-]

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.61
AR P10275 7/20 0.47
TSHR P16473 5/20 0.44
HSD17B10 Q99714 1/20 0.41
HPGD P15428 1/20 0.40
CYP3A4 P08684 2/20 0.40
TDP1 Q9NUW8 2/20 0.39
MAPK1 P28482 1/20 0.39
ALDH1A1 P00352 2/20 0.39
S1PR1 P21453 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
SCHEMBL3835000 0.82 MAPT (0.67) MAPTTSHRHSD17B10HPGDCYP3A4
SCHEMBL3054634 0.79 MAPT (0.63) MAPTTSHRHSD17B10HPGDCYP3A4
SCHEMBL7475387 0.78 MAPT (0.61) MAPTTSHRHSD17B10HPGDCYP3A4
SCHEMBL7470399 0.78 MAPT (0.61) MAPTTSHRHSD17B10HPGDCYP3A4
SCHEMBL3049898 0.77 MAPT (0.64) MAPTARTSHRHSD17B10HPGD
SCHEMBL3060140 0.77 MAPT (0.59) MAPTARTSHRHSD17B10HPGD
SCHEMBL11886403 0.76 MAPT (1.00) MAPTTSHRHSD17B10HPGDCYP3A4
SCHEMBL29740665 0.76 MAPT (0.72) MAPTTSHRHSD17B10HPGDCYP3A4
SCHEMBL5651926 0.75 L3MBTL1 (0.47) MAPTARTSHRHSD17B10HPGD
SCHEMBL3059939 0.75 MAPT (0.56) MAPTTSHRCYP3A4TDP1MAPK1

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150099720-A1 ANDROGEN RECEPTOR MODULATOR COMPOUNDS AND METHODS CITIBANK, N.A., AS ADMINISTRATIVE AGENT 2015-04-09 US claimed
US-20140005186-A1 ANDROGEN RECEPTOR MODULATOR COMPOUNDS AND METHODS LIGAND PHARMACEUTICALS INCORPORATED (US) 2014-01-02 US claimed
US-20070254875-A1 Androgen Receptor Modulator Compounds and Methods CITIBANK, N.A., AS ADMINISTRATIVE AGENT 2007-11-01 US claimed
WO-2005090282-A1 ANDROGEN RECEPTOR MODULATOR COMPOUNDS AND METHODS LIGAND PHARMACEUTICALS INCORPORATED (US) 2005-09-29 WO claimed
US-9359285-B2 Androgen receptor modulator compounds and methods LIGAND PHARMACEUTICALS INCORPORATED (US) 2016-06-07 US disclosed
US-9359285-B2 Androgen receptor modulator compounds and methods LIGAND PHARMACEUTICALS INCORPORATED (US) 2016-06-07 US disclosed
US-20150099720-A1 ANDROGEN RECEPTOR MODULATOR COMPOUNDS AND METHODS CITIBANK, N.A., AS ADMINISTRATIVE AGENT 2015-04-09 US disclosed
US-20150099720-A1 ANDROGEN RECEPTOR MODULATOR COMPOUNDS AND METHODS CITIBANK, N.A., AS ADMINISTRATIVE AGENT 2015-04-09 US disclosed
US-8865918-B2 Androgen receptor modulator compounds and methods LIGAND PHARMACEUTICALS INCORPORATED (US) 2014-10-21 US disclosed
US-8865918-B2 Androgen receptor modulator compounds and methods LIGAND PHARMACEUTICALS INCORPORATED (US) 2014-10-21 US disclosed
US-20140005186-A1 ANDROGEN RECEPTOR MODULATOR COMPOUNDS AND METHODS LIGAND PHARMACEUTICALS INCORPORATED (US) 2014-01-02 US disclosed
US-8519158-B2 Androgen receptor modulator compounds and methods LIGAND PHARMACEUTICALS INCORPORATED (US) 2013-08-27 US disclosed
US-8519158-B2 Androgen receptor modulator compounds and methods LIGAND PHARMACEUTICALS INCORPORATED (US) 2013-08-27 US disclosed
US-20070254875-A1 Androgen Receptor Modulator Compounds and Methods CITIBANK, N.A., AS ADMINISTRATIVE AGENT 2007-11-01 US disclosed
US-20070254875-A1 Androgen Receptor Modulator Compounds and Methods CITIBANK, N.A., AS ADMINISTRATIVE AGENT 2007-11-01 US disclosed
WO-2005090282-A1 ANDROGEN RECEPTOR MODULATOR COMPOUNDS AND METHODS LIGAND PHARMACEUTICALS INCORPORATED (US) 2005-09-29 WO disclosed
EP-1537091-A1 NOVEL 2-ARYLTHIAZOLE COMPOUNDS AS PPARALPHA AND PPARGAMMA AGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2005-06-08 EP disclosed
WO-2004020420-A1 NOVEL 2-ARYLTHIAZOLE COMPOUNDS AS PPARALPHA AND PPARGAMA AGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2004-03-11 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-20150099720-A1 ANDROGEN RECEPTOR MODULATOR COMPOUNDS AND METHODS AR, SHBG, NR5A1 MAPT 4233/4885AR 1/4885TSHR 280/4885
US-20140005186-A1 ANDROGEN RECEPTOR MODULATOR COMPOUNDS AND METHODS AR, SHBG, NR5A1 MAPT 4233/4885AR 1/4885TSHR 280/4885
US-20070254875-A1 Androgen Receptor Modulator Compounds and Methods AR, SHBG, NR5A1 MAPT 4233/4885AR 1/4885TSHR 280/4885

“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.