SCHEMBL6437487

SCHEMBL6437487

CS(=O)(=O)NC(=O)C=Cc1ccc(C2=C(c3ccccc3)COc3ccccc32)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 5/20 0.52
ESR2 Q92731 5/20 0.52
PTGS2 P35354 3/20 0.42
PTGS1 P23219 2/20 0.42
ABCB11 O95342 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MT-CO2 P00403 1/20 0.42
HTR1A P08908 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
MC4R P32245 1/20 0.42
HDAC2 Q92769 3/20 0.41
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
HDAC3 O15379 2/20 0.38
HDAC4 P56524 2/20 0.38
HDAC1 Q13547 2/20 0.38
HDAC7 Q8WUI4 2/20 0.38
HDAC10 Q969S8 2/20 0.38
HDAC11 Q96DB2 2/20 0.38
HDAC8 Q9BY41 2/20 0.38

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
SCHEMBL5118234 1.00 ESR1 (0.52) ESR1ESR2PTGS2PTGS1ABCB11
SCHEMBL6437428 0.90 ESR1 (0.52) ESR1ESR2HDAC2HDAC3HDAC4
SCHEMBL6437426 0.90 ESR1 (0.52) ESR1ESR2HDAC2HDAC3HDAC4
SCHEMBL5116888 0.84 ESR1 (0.70) ESR1ESR2PTGS1HDAC2HDAC3
SCHEMBL5116884 0.84 ESR1 (0.70) ESR1ESR2PTGS1HDAC2HDAC3
SCHEMBL6438313 0.83 ESR1 (0.44) ESR1ESR2PTGS2PTGS1ALDH1A1
SCHEMBL5113727 0.83 ESR1 (0.44) ESR1ESR2PTGS2PTGS1ALDH1A1
SCHEMBL14320245 0.83 ESR1 (0.55) ESR1ESR2ALDH1A1HDAC2
SCHEMBL14289691 0.83 ESR1 (0.55) ESR1ESR2ALDH1A1HDAC2
SCHEMBL6437655 0.82 ESR1 (0.43) ESR1ESR2PTGS2HDAC2HDAC3

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-6927224-B2 Selective estrogen receptor modulators BRISTOL MYERS SQUIBB COMPANY (US) 2005-08-09 US claimed
EP-1417169-A2 SELECTIVE ESTROGEN RECEPTOR MODULATORS Bristol-Myers Squibb Pharma Company (US) 2004-05-12 EP claimed
US-20030105148-A1 Selective estrogen receptor modulators BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-06-05 US claimed
WO-2003016270-A2 SELECTIVE ESTROGEN RECEPTOR MODULATORS BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2003-02-27 WO claimed
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 (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-20030105148-A1 Selective estrogen receptor modulators ESR1, GPER1, PTGIR ESR1 1/4885ESR2 8/4885PTGS2 102/4885

“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.