SCHEMBL4516654

SCHEMBL4516654

CS(=O)(=O)c1ccc(-c2sc3cc(OC(=O)C(F)(F)F)ccc3c2Oc2ccc(OCCN3CCCCC3)cc2)cc1F

nearest known ligand 0.63

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 14/20 0.63
ESR2 Q92731 13/20 0.63
ENPP3 O14638 5/20 0.48
ENPP1 P22413 3/20 0.48
ABCC1 P33527 1/20 0.48

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
Trifluoroacetic Acid SCHEMBL4516652 0.91 ESR1 (0.71) ESR1ESR2ABCC1
SCHEMBL4512329 0.85 ESR1 (0.66) ESR1ESR2ENPP3ENPP1
SCHEMBL4518053 0.85 ESR1 (0.61) ESR1ESR2
SCHEMBL4510110 0.78 ESR1 (1.00) ESR1ESR2ABCC1
SCHEMBL3113722 0.77 ESR1 (0.65) ESR1ESR2
Trifluoroacetic Acid SCHEMBL4518991 0.77 ESR1 (0.72) ESR1ESR2ENPP3ENPP1
Hydrochloric Acid SCHEMBL4513519 0.77 ESR1 (0.98) ESR1ESR2ABCC1
SCHEMBL11182993 0.77 ESR1 (0.74) ESR1ESR2
Oxalic Acid SCHEMBL7456866 0.76 ESR1 (0.80) ESR1ESR2ENPP3ENPP1
SCHEMBL7980102 0.76 ESR1 (0.69) ESR1ESR2ENPP3ENPP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7585977-B2 Selective estrogen receptor modulators containing a phenylsulfonyl group ELI LILLY AND COMPANY (US) 2009-09-08 US disclosed
US-20080214612-A1 SELECTIVE ESTROGEN RECEPTOR MODULATORS CONTAINING A PHENYLSULFONYL GROUP DALLY ROBERT DEAN 2008-09-04 US disclosed
EP-1782810-A2 Selective estrogen receptor modulators containing a phenylsulfonyl group Eli Lilly & Company (US) 2007-05-09 EP 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 (1 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 ESR1 3/4885ESR2 2/4885ENPP3 1918/4885

“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.