SCHEMBL5113827

SCHEMBL5113827

O=S(=O)(Oc1ccc(C2=C(c3ccccc3)CCCc3ccccc32)cc1)C(F)(F)F

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 11/20 0.52
PTGS2 P35354 4/20 0.39
PTGS1 P23219 1/20 0.39
EBP Q15125 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
MAPT P10636 1/20 0.36
MIF P14174 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 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
SCHEMBL5116904 0.78 PTGS1 (0.44) ESR1PTGS2PTGS1
SCHEMBL5117049 0.74 ESR1 (0.66) ESR1MIF
SCHEMBL5851502 0.74 ESR1 (0.56) ESR1EBPSIGMAR1
SCHEMBL5852960 0.74 ESR1 (0.56) ESR1EBPSIGMAR1
SCHEMBL6438036 0.74 ESR1 (0.41) ESR1PTGS1
SCHEMBL6438035 0.74 ESR1 (0.41) ESR1PTGS1
SCHEMBL24360466 0.73 CA2 (0.62) CA1CA2CA9
SCHEMBL5532552 0.73 CA2 (0.62) CA1CA2CA9
SCHEMBL7805467 0.73 ESR1 (0.57) ESR1EBPSIGMAR1
SCHEMBL5851849 0.73 ESR1 (0.55) ESR1EBPSIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7323587-B2 Selective estrogen receptor modulators BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2008-01-29 US disclosed
US-7323587-B2 Selective estrogen receptor modulators BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2008-01-29 US disclosed
US-7323587-B2 Selective estrogen receptor modulators BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2008-01-29 US disclosed
US-7045540-B2 Selective estrogen receptor modulators BRISTOL MEYERS SQUIBB COMPANY (US) 2006-05-16 US disclosed
US-20050267183-A1 Selective estrogen receptor modulators KALTENBACH ROBERT F 2005-12-01 US disclosed
US-20050245602-A1 Selective estrogen receptor modulators KALTENBACH ROBERT F 2005-11-03 US disclosed
US-6927224-B2 Selective estrogen receptor modulators BRISTOL MYERS SQUIBB COMPANY (US) 2005-08-09 US disclosed
US-20030105148-A1 Selective estrogen receptor modulators BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-06-05 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 (3 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-20050245602-A1 Selective estrogen receptor modulators ESR1, ESR2, GPER1 ESR1 1/4885PTGS2 103/4885PTGS1 150/4885
US-20030105148-A1 Selective estrogen receptor modulators ESR1, GPER1, PTGIR ESR1 1/4885PTGS2 102/4885PTGS1 48/4885
US-20050267183-A1 Selective estrogen receptor modulators ESR2, ESR1, GPER1 ESR1 2/4885PTGS2 150/4885PTGS1 190/4885

“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.