SCHEMBL229088

SCHEMBL229088

O=[N+]([O-])c1cc(F)ccc1OS(=O)(=O)C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSPB1 P04792 5/20 0.47
EPAS1 Q99814 1/20 0.46
PTPN1 P18031 1/20 0.46
ATM Q13315 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
KCNMA1 Q12791 1/20 0.39
ALDH3A1 P30838 1/20 0.39
MASP2 O00187 1/20 0.39
F2 P00734 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CRHBP P24387 1/20 0.39
CRHR2 Q13324 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
SCHEMBL31090808 1.00 HSPB1 (0.47) HSPB1EPAS1PTPN1ATMTDP1
SCHEMBL40551 0.91 TDP1 (0.49) HSPB1EPAS1PTPN1ATMTDP1
SCHEMBL8616810 0.85 HSPB1 (0.51) HSPB1PTPN1TDP1MEN1KMT2A
SCHEMBL31090857 0.84 MASP2 (0.55) PTPN1TDP1MEN1KMT2AMASP2
SCHEMBL6816625 0.84 PDE7A (0.49) EPAS1PTPN1L3MBTL1KMT2AALDH1A1
SCHEMBL31090816 0.84 TSHR (0.49) PTPN1TDP1MEN1KMT2AALDH1A1
SCHEMBL31090845 0.84 PDE7A (0.49) EPAS1PTPN1L3MBTL1KMT2AALDH1A1
SCHEMBL810810 0.84 TSHR (0.49) PTPN1TDP1MEN1KMT2AALDH1A1
SCHEMBL16095720 0.84 PTPN1 (0.45) HSPB1EPAS1PTPN1L3MBTL1ALDH3A1
SCHEMBL3349131 0.83 ALDH1A1 (0.51) TDP1L3MBTL1MEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1577288-B1 Selective estrogen receptor modulators EISAI R&D MAN CO LTD (JP) 2014-07-23 EP disclosed
US-8399520-B2 Selective estrogen receptor modulator EISAI R&D MANAGEMENT CO., LTD. (JP) 2013-03-19 US disclosed
CN-101426774-B Azolecarboxamide derivative ASTELLAS PHARMA INC 2012-04-25 CN disclosed
US-20120004315-A1 Selective Estrogen Receptor Modulator RADIUS HEALTH, INC. 2012-01-05 US disclosed
US-7960412-B2 Selective estrogen receptor modulator EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-06-14 US disclosed
US-20090325930-A1 SELECTIVE ESTROGEN RECEPTOR MODULATOR RADIUS HEALTH, INC. 2009-12-31 US disclosed
US-7612114-B2 Such as (R)-6-{2-{ethyl[4-(2-ethylaminoethyl)benzyl]amino }-4-methoxyphenyl }-5,6,7,8-tetrahydronaphthalen-2-ol; osteoporosis; breast cancer EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-11-03 US disclosed
CN-101426774-A Azolecarboxamide derivative ASTELLAS PHARMA INC (JP) 2009-05-06 CN disclosed
US-20060116364-A1 Such as (R)-6-{2-{ethyl[4-(2-ethylaminoethyl)benzyl]amino }-4-methoxyphenyl }-5,6,7,8-tetrahydronaphthalen-2-ol; osteoporosis; breast cancer EISAI CO., LTD. (JP) 2006-06-01 US disclosed
EP-1577288-A1 SELECTIVE ESTROGEN RECEPTOR MODULATORS Eisai Co., Ltd. (JP) 2005-09-21 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 (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-20090325930-A1 SELECTIVE ESTROGEN RECEPTOR MODULATOR ESR1, GPER1, ESR2 HSPB1 1676/4885EPAS1 896/4885PTPN1 1125/4885
US-20060116364-A1 Such as (R)-6-{2-{ethyl[4-(2-ethylaminoethyl)benzyl]amino }-4-methoxyphenyl }-5,6,7,8-tetrahydronaphthalen-2-ol; osteoporosis; breast cancer BRCA1, BCR, RCC1 HSPB1 2211/4885EPAS1 1875/4885PTPN1 2570/4885
US-20120004315-A1 Selective Estrogen Receptor Modulator ESR1, GPER1, ESR2 HSPB1 2022/4885EPAS1 886/4885PTPN1 1449/4885

“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.