SCHEMBL4966676

SCHEMBL4966676

COc1ccc(-c2cc3sc(O)cc3cc2Oc2ccc(OCCCCSCCCC(F)(F)C(F)(F)F)cc2)cc1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 1/20 0.36
▸ HDAC2 Q92769 1/20 0.36
▸ PPARG P37231 3/20 0.33
▸ PPARA Q07869 3/20 0.33
▸ PPM1A P35813 1/20 0.33
▸ PTGDR2 Q9Y5Y4 1/20 0.33
▸ LTB4R Q15722 2/20 0.33
▸ FFAR4 Q5NUL3 2/20 0.31
▸ FFAR1 O14842 1/20 0.31
▸ ESR1 P03372 1/20 0.31
▸ ESR2 Q92731 1/20 0.31
▸ SYK P43405 2/20 0.31
▸ MOGAT2 Q3SYC2 1/20 0.31
▸ MAPT P10636 1/20 0.30
▸ TDP1 Q9NUW8 1/20 0.30
▸ L3MBTL1 Q9Y468 1/20 0.30
▸ LTB4R2 Q9NPC1 1/20 0.30

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
SCHEMBL4965276 0.94 HDAC1 (0.36) HDAC1HDAC2FFAR4FFAR1ESR1
SCHEMBL4965284 0.86 PTGDR2 (0.34) PPM1APTGDR2LTB4RFFAR4ESR1
SCHEMBL4965912 0.80 FFAR4 (0.32) FFAR4ESR1ESR2
SCHEMBL4965002 0.77 ESR1 (0.50) ESR1ESR2
SCHEMBL4965710 0.72 ESR1 (0.55) HDAC1HDAC2ESR1ESR2
SCHEMBL4965974 0.64 ESR1 (0.49) ESR1ESR2
SCHEMBL5851970 0.62 ESR1 (0.61) ESR1
SCHEMBL5138107 0.62 CYP19A1 (0.54) ESR1ESR2MAPT
SCHEMBL15892136 0.57 LTA4H (0.54) MAPT
SCHEMBL11614467 0.57 MAPT (0.49) PPARAMAPTTDP1L3MBTL1

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-1641774-B1 PENTAFLUOROALKANESULFINYL NAPHTHALENES AND RELATED ESTROGEN RECEPTOR MODULATORS LILLY CO ELI (US) 2008-09-03 — — EP claimed
US-20070054956-A1 Pentalfluoroalkanesulfinyl naphthalenes and related estrogen receptor modulators ELI LILLY AND COMPANY 2007-03-08 — — US claimed
EP-1641774-A1 PENTAFLUOROALKANESULFINYL NAPHTHALENES AND RELATED ESTROGEN RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2006-04-05 — — EP claimed
WO-2005000834-A1 PENTAFLUOROALKANESULFINYL NAPHTHALENES AND RELATED ESTROGEN RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2005-01-06 — — WO claimed
US-7462647-B2 Pentalfluoroalkanesulfinyl naphthalenes and related estrogen receptor modulators ELI LILLY AND COMPANY (US) 2008-12-09 — — US disclosed
EP-1641774-B1 PENTAFLUOROALKANESULFINYL NAPHTHALENES AND RELATED ESTROGEN RECEPTOR MODULATORS LILLY CO ELI (US) 2008-09-03 — — EP disclosed
US-20070054956-A1 Pentalfluoroalkanesulfinyl naphthalenes and related estrogen receptor modulators ELI LILLY AND COMPANY 2007-03-08 — — US disclosed
EP-1641774-A1 PENTAFLUOROALKANESULFINYL NAPHTHALENES AND RELATED ESTROGEN RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2006-04-05 — — EP disclosed
WO-2005000834-A1 PENTAFLUOROALKANESULFINYL NAPHTHALENES AND RELATED ESTROGEN RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2005-01-06 — — 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-20070054956-A1 Pentalfluoroalkanesulfinyl naphthalenes and related estrogen receptor modulators ESR2, ESR1, GPER1 HDAC1 2510/4885HDAC2 2386/4885PPARG 593/4885

“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.

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