SCHEMBL5116904

SCHEMBL5116904

O=S(=O)(Oc1ccc(C2=C(c3ccccc3)COc3ccccc32)cc1)C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 4/20 0.44
ESR1 P03372 6/20 0.43
ESR2 Q92731 6/20 0.43
KMT2A Q03164 1/20 0.43
PTGS2 P35354 6/20 0.43
ABCB11 O95342 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MT-CO2 P00403 1/20 0.43
HTR1A P08908 1/20 0.43
ADORA3 P0DMS8 1/20 0.43
MC4R P32245 1/20 0.43

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
SCHEMBL5113827 0.78 ESR1 (0.52) PTGS1ESR1PTGS2
SCHEMBL5124541 0.74 ESR1 (0.54) PTGS1ESR1ESR2KMT2APTGS2
SCHEMBL5532552 0.73 CA2 (0.62) KMT2A
SCHEMBL24360466 0.73 CA2 (0.62) KMT2A
SCHEMBL16926998 0.72 CA1 (0.47) PTGS1KMT2APTGS2
SCHEMBL16856551 0.71 STS (0.40) KMT2AALDH1A1
SCHEMBL28489890 0.70 DRD2 (0.42)
SCHEMBL5116884 0.69 ESR1 (0.70) PTGS1ESR1ESR2KMT2A
SCHEMBL5116888 0.69 ESR1 (0.70) PTGS1ESR1ESR2KMT2A
SCHEMBL24360467 0.69 CA2 (0.56) KMT2A

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 10 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
EP-1417169-A2 SELECTIVE ESTROGEN RECEPTOR MODULATORS Bristol-Myers Squibb Pharma Company (US) 2004-05-12 EP disclosed
US-20030105148-A1 Selective estrogen receptor modulators BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-06-05 US disclosed
WO-2003016270-A2 SELECTIVE ESTROGEN RECEPTOR MODULATORS BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2003-02-27 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 (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 PTGS1 150/4885ESR1 1/4885ESR2 2/4885
US-20030105148-A1 Selective estrogen receptor modulators ESR1, GPER1, PTGIR PTGS1 48/4885ESR1 1/4885ESR2 8/4885
US-20050267183-A1 Selective estrogen receptor modulators ESR2, ESR1, GPER1 PTGS1 190/4885ESR1 2/4885ESR2 1/4885

“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.