SCHEMBL5863848

SCHEMBL5863848

O=S(=O)(c1ccccc1)N(Cc1ccc(O)cc1)c1ccc(CCCN2CCC(Cc3ccccc3)CC2)cc1

nearest known ligand 0.68

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 2/20 0.53
SIGMAR1 Q99720 1/20 0.53
ESR1 P03372 1/20 0.53
GRIN2B Q13224 4/20 0.49
GRIN2A Q12879 3/20 0.49
GRIN2D O15399 2/20 0.49
GRIN3B O60391 2/20 0.49
ADRA1D P25100 2/20 0.49
ADRA1A P35348 2/20 0.49
ADRA1B P35368 2/20 0.49
GRIN1 Q05586 2/20 0.49
GRIN2C Q14957 2/20 0.49
GRIN3A Q8TCU5 2/20 0.49
HRH3 Q9Y5N1 1/20 0.49
HTR2A P28223 1/20 0.49
KCNH2 Q12809 1/20 0.49
OPRM1 P35372 1/20 0.48

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
SCHEMBL5863852 0.87 ESR1 (0.57) ESR1
SCHEMBL5863885 0.83 HTR7 (0.59) SIGMAR1ESR1HTR2AOPRM1
SCHEMBL7404650 0.82 CCR3 (0.76) CCR3SIGMAR1GRIN2BGRIN2AGRIN2D
SCHEMBL5863792 0.82 ESR1 (0.53) ESR1
SCHEMBL5863752 0.81 ESR1 (0.48) ESR1
Hydrochloric Acid SCHEMBL7409767 0.81 CCR3 (0.74) CCR3SIGMAR1GRIN2BGRIN2AGRIN2D
SCHEMBL5755950 0.80 CCR3 (0.54) CCR3SIGMAR1GRIN2BGRIN2AHRH3
SCHEMBL5864358 0.79 ESR1 (0.49) ESR1
SCHEMBL6295367 0.77 ESR1 (0.88) ESR1
SCHEMBL5864552 0.76 ESR1 (0.51) ESR1OPRM1

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 6 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 claimed
US-20040110767-A1 Acyclic amide and sulfonamide ligands for the estrogen receptor PFIZER INC 2004-06-10 US claimed
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 CCR3 2667/4885SIGMAR1 467/4885ESR1 4/4885

“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.