SCHEMBL4471027

SCHEMBL4471027

Cc1c(OS(=O)(=O)C(F)(F)F)ccc([N+](=O)[O-])c1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.41
PTPN1 P18031 1/20 0.40
EPAS1 Q99814 1/20 0.38
TSHR P16473 5/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ALDH1A1 P00352 4/20 0.37
MAPT P10636 2/20 0.37
ALDH3A1 P30838 2/20 0.36
CYP3A4 P08684 1/20 0.35
CRHBP P24387 1/20 0.35
CRHR2 Q13324 1/20 0.35
TUBB4A P04350 1/20 0.34
TUBB P07437 1/20 0.34
TUBA3C P0DPH7 1/20 0.34
TUBA1B P68363 1/20 0.34
TUBA4A P68366 1/20 0.34
TUBB4B P68371 1/20 0.34
TUBB3 Q13509 1/20 0.34
TUBB2A Q13885 1/20 0.34
TUBB8 Q3ZCM7 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
SCHEMBL7336648 0.87 CRHBP (0.40) TDP1PTPN1EPAS1TSHRSMN1; SMN2
SCHEMBL7392580 0.84 TSHR (0.40) TDP1PTPN1TSHRSMN1; SMN2ALDH1A1
SCHEMBL7550828 0.84 TSHR (0.49) PTPN1TSHRALDH1A1MAPTCYP3A4
SCHEMBL29497739 0.81 TDP1 (0.46) TDP1TSHRSMN1; SMN2ALDH1A1MAPT
SCHEMBL20582958 0.81 TDP1 (0.46) TDP1TSHRSMN1; SMN2ALDH1A1MAPT
SCHEMBL810810 0.81 TSHR (0.49) TDP1PTPN1TSHRSMN1; SMN2ALDH1A1
SCHEMBL31090816 0.81 TSHR (0.49) TDP1PTPN1TSHRSMN1; SMN2ALDH1A1
SCHEMBL40551 0.79 TDP1 (0.49) TDP1PTPN1EPAS1SMN1; SMN2ALDH1A1
SCHEMBL3434984 0.78 PTPN1 (0.46) PTPN1SMN1; SMN2ALDH1A1MAPTALDH3A1
SCHEMBL8722119 0.78 CTSB (0.45) TDP1PTPN1EPAS1ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1836202-B1 AMINOPHENYL DERIVATIVES AS SELECTIVE ANDROGEN RECEPTOR MODULATORS ACADIA PHARM INC (US) 2016-12-21 EP disclosed
CN-101119993-B Aminophenyl derivatives as selective androgen receptor modulators ACADIA PHARM INC 2015-03-04 CN disclosed
US-20090270449-A1 AMINOPHENYL DERIVATIVES AS SELECTIVE ANDROGEN RECEPTOR MODULATORS SCHLIENGER NATHALIE 2009-10-29 US disclosed
US-7585877-B2 Aminophenyl derivatives as selective androgen receptor modulators ACADIA PHARMACEUTICALS, INC. 2009-09-08 US disclosed
CN-101119993-A Aminophenyl derivatives as selective androgen receptor modulators ACADIA PHARM INC (US) 2008-02-06 CN disclosed
WO-2006076317-A9 AMINOPHENYL DERIVATIVES AS SELECTIVE ANDROGEN RECEPTOR MODULATORS ACADIA PHARM INC (US) 2007-09-27 WO disclosed
EP-1836202-A2 AMINOPHENYL DERIVATIVES AS SELECTIVE ANDROGEN RECEPTOR MODULATORS Acadia Pharmaceuticals Inc. (US) 2007-09-26 EP disclosed
WO-2007092400-A1 AMINOPHENYL DERIVATIVES AS SELECTIVE ANDROGEN RECEPTOR MODULATORS ACADIA PHARMACEUTICALS INC. (US) 2007-08-16 WO disclosed
US-7199147-B2 Rho kinase inhibitors DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2007-04-03 US disclosed
US-20060173037-A1 Aminophenyl derivatives as selective androgen receptor modulators ACADIA PHARMACEUTICALS INC. 2006-08-03 US disclosed
WO-2006076317-A2 AMINOPHENYL DERIVATIVES AS SELECTIVE ANDROGEN RECEPTOR MODULATORS ACADIA PHARMACEUTICALS INC. (US) 2006-07-20 WO disclosed
US-20060160845-A1 Aminophenyl derivatives as selective androgen receptor modulators ACADIA PHARMACEUTICALS INC. 2006-07-20 US disclosed
US-20040138286-A1 Rho kinase inhibitors DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2004-07-15 US disclosed
EP-1403255-A1 Rho KINASE INHIBITORS SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2004-03-31 EP 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-20060173037-A1 Aminophenyl derivatives as selective androgen receptor modulators AR, NR5A1, ESRRA TDP1 2425/4885PTPN1 1274/4885EPAS1 491/4885
US-20090270449-A1 AMINOPHENYL DERIVATIVES AS SELECTIVE ANDROGEN RECEPTOR MODULATORS AR, NR5A1, ESRRA TDP1 2425/4885PTPN1 1274/4885EPAS1 491/4885
US-20040138286-A1 Rho kinase inhibitors ROCK1, ROCK2, ARHGDIA TDP1 1496/4885PTPN1 513/4885EPAS1 2195/4885
US-20060160845-A1 Aminophenyl derivatives as selective androgen receptor modulators AR, NR5A1, ESRRA TDP1 2425/4885PTPN1 1274/4885EPAS1 491/4885

“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.