SCHEMBL3839239

SCHEMBL3839239

COc1ccc2c(c1)S(=O)(=O)C(Br)=C2Oc1ccc(OCCN2CCCCC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 4/20 0.52
HRH3 Q9Y5N1 4/20 0.50
KCNH2 Q12809 2/20 0.50
PTGS2 P35354 1/20 0.49
MAOB P27338 1/20 0.48
ESR1 P03372 3/20 0.46
EBP Q15125 1/20 0.46
SIGMAR1 Q99720 1/20 0.46
PSMB1 P20618 1/20 0.45
PSMB5 P28074 1/20 0.45
PSMB2 P49721 1/20 0.45
PTPN1 P18031 1/20 0.45
POLB P06746 1/20 0.45
MAPT P10636 1/20 0.45

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
SCHEMBL1793689 0.80 HRH3 (0.61) LTA4HHRH3KCNH2MAOBPSMB1
SCHEMBL3840409 0.79 MAOB (0.49) LTA4HHRH3KCNH2MAOBESR1
SCHEMBL1795485 0.78 HRH3 (0.59) LTA4HHRH3PSMB1PSMB5PSMB2
SCHEMBL2180695 0.77 EBP (0.60) LTA4HHRH3PTGS2MAOBESR1
SCHEMBL1797228 0.76 HRH3 (0.56) LTA4HHRH3MAOBPSMB1PSMB5
SCHEMBL1799422 0.76 HRH3 (0.56) LTA4HHRH3MAOBPSMB1PSMB5
SCHEMBL1793847 0.74 HRH3 (0.54) LTA4HHRH3MAOBPSMB1PSMB5
SCHEMBL1796247 0.74 HRH3 (0.62) HRH3KCNH2
SCHEMBL15257179 0.73 LTA4H (0.82) LTA4HHRH3PSMB1PSMB5PSMB2
SCHEMBL14970684 0.73 LTA4H (0.82) LTA4HHRH3PSMB1PSMB5PSMB2

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-1709023-B1 SELECTIVE ESTROGEN RECEPTOR MODULATORS LILLY CO ELI (US) 2009-11-11 EP disclosed
US-20070111988-A1 Selective estrogen receptor modulators ELI LILLY AND COMPANY (US) 2007-05-17 US disclosed
US-20070066595-A1 Selective estrogen receptor modulators ARRAY BIOPHARMA, INC. 2007-03-22 US disclosed
EP-1709023-A1 SELECTIVE ESTROGEN RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2006-10-11 EP disclosed
EP-1709022-A1 SELECTIVE ESTROGEN RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2006-10-11 EP disclosed
WO-2005073205-A1 SELECTIVE ESTROGEN RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2005-08-11 WO disclosed
WO-2005073206-A1 SELECTIVE ESTROGEN RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2005-08-11 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-20070111988-A1 Selective estrogen receptor modulators ESR2, GPER1, ESRRA LTA4H 1532/4885HRH3 2187/4885KCNH2 2307/4885
US-20070066595-A1 Selective estrogen receptor modulators GPER1, ESR2, ESR1 LTA4H 1471/4885HRH3 2616/4885KCNH2 2457/4885

“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.