SCHEMBL1658295

SCHEMBL1658295

Cc1ccc(S(=O)(=O)n2ncc3c4c(ccc32)C2=C(Cl)C(=O)[C@@H]3CCC2(C4)C3)cc1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.35
ESR2 Q92731 2/20 0.35
HTR6 P50406 2/20 0.33
OPRM1 P35372 1/20 0.32
SLC9A1 P19634 1/20 0.31
NPC1 O15118 1/20 0.30
PKM P14618 1/20 0.30

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
SCHEMBL1658291 1.00 ESR1 (0.35) ESR1ESR2HTR6OPRM1SLC9A1
SCHEMBL1657966 0.82 OPRM1 (0.33) HTR6OPRM1NPC1PKM
SCHEMBL1657970 0.82 OPRM1 (0.33) HTR6OPRM1NPC1PKM
SCHEMBL1657108 0.81 ESR1 (0.36) ESR1ESR2HTR6
SCHEMBL1657106 0.81 ESR1 (0.36) ESR1ESR2HTR6
SCHEMBL5725880 0.71 ESR1 (0.54) ESR1ESR2
SCHEMBL5726740 0.70 ESR2 (0.42) ESR1ESR2
SCHEMBL5582354 0.70 ESR1 (0.43) ESR1ESR2HTR6OPRM1SLC9A1
SCHEMBL5726168 0.69 ESR2 (0.44) ESR1ESR2
SCHEMBL5725365 0.68 ESR2 (0.45) ESR1ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1943224-B1 ESTROGEN RECEPTOR MODULATORS MERCK SHARP & DOHME (US) 2011-07-27 EP disclosed
US-7923568-B2 Estrogen receptor modulators MERCK SHARP & DOHME CORP. (US) 2011-04-12 US disclosed
US-20100168188-A1 Estrogen Receptor Modulators MERCK SHARP & DOHME LLC 2010-07-01 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 (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-20100168188-A1 Estrogen Receptor Modulators ESR2, GPER1, ESRRA ESR1 5/4885ESR2 1/4885HTR6 1529/4885

“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.