SCHEMBL5863359

SCHEMBL5863359

O=CCCc1ccc(N(Cc2ccc(O)cc2)S(=O)(=O)c2ccccc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 6/20 0.65
NR3C1 P04150 1/20 0.52
NR1I2 O75469 1/20 0.52
CNR1 P21554 3/20 0.51
CNR2 P34972 3/20 0.51
RORC P51449 1/20 0.50
PKM P14618 1/20 0.49
PTGES O14684 3/20 0.48
ALOX5 P09917 3/20 0.48
POLB P06746 1/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
PTPN1 P18031 1/20 0.46

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
SCHEMBL6295367 0.85 ESR1 (0.88) ESR1NR3C1NR1I2CNR1CNR2
SCHEMBL5863215 0.82 ESR1 (0.72) ESR1NR3C1NR1I2CNR1CNR2
SCHEMBL27593108 0.80 ESR1 (1.00) ESR1NR3C1NR1I2CNR1CNR2
SCHEMBL5863831 0.79 ESR1 (0.63) ESR1NR3C1NR1I2CNR1CNR2
SCHEMBL5863377 0.79 NR3C1 (0.71) ESR1NR3C1NR1I2CNR1CNR2
SCHEMBL5864295 0.78 ESR1 (0.58) ESR1NR3C1NR1I2CNR1CNR2
SCHEMBL5863852 0.77 ESR1 (0.57) ESR1NR3C1NR1I2CNR1CNR2
SCHEMBL5863768 0.77 ESR1 (0.60) ESR1NR3C1NR1I2CNR1CNR2
SCHEMBL6301442 0.76 ESR1 (0.81) ESR1NR3C1NR1I2CNR1CNR2
SCHEMBL5863975 0.75 ESR1 (0.55) ESR1NR3C1NR1I2CNR1CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7053212-B2 Acyclic amide and sulfonamide ligands for the estrogen receptor PFIZER INC. (US) 2006-05-30 US disclosed
EP-1542967-A1 AMIDE AND SULFONAMIDE LIGANDS FOR THE ESTROGEN RECEPTOR Pfizer Products Inc. (US) 2005-06-22 EP disclosed
US-20040110767-A1 Acyclic amide and sulfonamide ligands for the estrogen receptor PFIZER INC 2004-06-10 US disclosed
WO-2004026823-A1 AMIDE AND SULFONAMIDE LIGANDS FOR THE ESTROGEN RECEPTOR PFIZER PRODUCTS INC. (US) 2004-04-01 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-20040110767-A1 Acyclic amide and sulfonamide ligands for the estrogen receptor GHSR, GPER1, SSTR1 ESR1 4/4885NR3C1 160/4885NR1I2 173/4885

“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.