SCHEMBL3125396

SCHEMBL3125396

COc1cc(OS(=O)(=O)C(F)(F)F)ccc1S(C)(=O)=O

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.42
CYP19A1 P11511 1/20 0.41
CXCR2 P25025 2/20 0.39
HSD11B1 P28845 1/20 0.39
TRPV4 Q9HBA0 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
GAA P10253 1/20 0.38
CXCR1 P25024 1/20 0.38
HTR1A P08908 2/20 0.37
HTR1D P28221 2/20 0.37
HTR1B P28222 2/20 0.37
HTR2C P28335 2/20 0.37
HTR2A P28223 1/20 0.37
HTR2B P41595 1/20 0.37
ALPL P05186 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HTR7 P34969 1/20 0.36
HTR6 P50406 1/20 0.36

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
SCHEMBL8501949 0.83 CA1 (0.53) SMN1; SMN2HSD11B1CA1CA2GAA
SCHEMBL2719702 0.81 CA12 (0.54) SMN1; SMN2CYP19A1TRPV4CA1CA2
SCHEMBL8900273 0.81 L3MBTL1 (0.47) SMN1; SMN2CXCR2HSD11B1CA1CA2
SCHEMBL6938157 0.81 CA12 (0.55) SMN1; SMN2CA1CA2GAAL3MBTL1
SCHEMBL3688422 0.78 CA1 (0.44) CXCR2HSD11B1CA1CA2CXCR1
SCHEMBL23866658 0.78 HTR1D (0.38) SMN1; SMN2CXCR2HSD11B1CA1CA2
SCHEMBL6935409 0.78 CA12 (0.55) SMN1; SMN2CA1CA2GAAL3MBTL1
SCHEMBL22444694 0.78 MAPK1 (0.47) SMN1; SMN2HSD11B1CA1CA2GAA
SCHEMBL6360991 0.78 HSD11B1 (0.46) SMN1; SMN2CXCR2HSD11B1CA1CA2
SCHEMBL2001499 0.77 ALDH1A1 (0.63) CA1CA2GAAL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1530470-B9 SELECTIVE ESTROGEN RECEPTOR MODULATORS CONTAINING A PHENYLSULFONYL GROUP LILLY CO ELI (US) 2010-04-07 EP disclosed
US-7585977-B2 Selective estrogen receptor modulators containing a phenylsulfonyl group ELI LILLY AND COMPANY (US) 2009-09-08 US disclosed
EP-1530470-B1 SELECTIVE ESTROGEN RECEPTOR MODULATORS CONTAINING A PHENYLSULFONYL GROUP LILLY CO ELI (US) 2009-06-10 EP disclosed
US-20080214612-A1 SELECTIVE ESTROGEN RECEPTOR MODULATORS CONTAINING A PHENYLSULFONYL GROUP DALLY ROBERT DEAN 2008-09-04 US disclosed
US-7399867-B2 Selective estrogen receptor modulators containing a phenylsulfonyl group ELI LILLY AND COMPANY (US) 2008-07-15 US disclosed
EP-1782810-A2 Selective estrogen receptor modulators containing a phenylsulfonyl group Eli Lilly & Company (US) 2007-05-09 EP disclosed
US-20060183736-A1 Selective estrogen receptor modulators containing a phenylsulfonyl group ELILILLY AND COMPANY 2006-08-17 US disclosed
EP-1530470-A1 SELECTIVE ESTROGEN RECEPTOR MODULATORS CONTAINING A PHENYLSULFONYL GROUP ELI LILLY AND COMPANY (US) 2005-05-18 EP disclosed
WO-2004009086-A1 SELECTIVE ESTROGEN RECEPTOR MODULATORS CONTAINING A PHENYLSULFONYL GROUP ELI LILLY AND COMPANY (US) 2004-01-29 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 (2 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-20080214612-A1 SELECTIVE ESTROGEN RECEPTOR MODULATORS CONTAINING A PHENYLSULFONYL GROUP GPER1, ESR2, ESR1 SMN1; SMN2 4010/4885CYP19A1 7/4885CXCR2 3907/4885
US-20060183736-A1 Selective estrogen receptor modulators containing a phenylsulfonyl group GPER1, ESR2, ESR1 SMN1; SMN2 4010/4885CYP19A1 7/4885CXCR2 3907/4885

“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.