SCHEMBL3107296

SCHEMBL3107296

COc1ccc2c(C(O)c3ccc(OCCN4CCCCC4)cc3)c(-c3ccc(S(C)(=O)=O)cc3)ccc2c1

nearest known ligand 0.62

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 16/20 0.62
ESR2 Q92731 16/20 0.62
ENPP3 O14638 1/20 0.45
ENPP1 P22413 1/20 0.45
JAK2 O60674 1/20 0.45
JAK3 P52333 1/20 0.45
PTK2 Q05397 1/20 0.45
LTA4H P09960 1/20 0.44

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
SCHEMBL7113137 0.88 ESR1 (0.49) ESR1ESR2LTA4H
SCHEMBL7110161 0.85 ESR1 (0.53) ESR1ESR2LTA4H
SCHEMBL5431659 0.85 LTA4H (0.51) ESR1ESR2LTA4H
SCHEMBL13389928 0.84 ESR1 (0.82) ESR1ESR2
SCHEMBL3122543 0.84 ESR1 (0.82) ESR1ESR2
SCHEMBL5426000 0.84 LTA4H (0.47) ESR1ESR2LTA4H
SCHEMBL3122366 0.83 ESR1 (0.63) ESR1ESR2ENPP3ENPP1
Hydrochloric Acid SCHEMBL3106922 0.83 ESR1 (0.82) ESR1ESR2
SCHEMBL6238825 0.83 ESR1 (0.42) ESR1ESR2
SCHEMBL5420872 0.82 LTA4H (0.51) ESR1ESR2LTA4H

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 7 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

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 ESR1 3/4885ESR2 2/4885ENPP3 1918/4885
US-20060183736-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.