Sugi Predict

Sugi Predict / Compounds / SCHEMBL6282275

SCHEMBL6282275

SCHEMBL6282275

O=C(O)[C@H]1CCc2cc(Br)ccc2O1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CYP4F2 P78329 6/20 0.44
▸ CYP4A11 Q02928 6/20 0.44
▸ GLS O94925 2/20 0.44
▸ PPARG P37231 2/20 0.41
▸ PPARA Q07869 1/20 0.41
▸ NFKB1 P19838 1/20 0.40
▸ NFKB2 Q00653 1/20 0.40
▸ RELA Q04206 1/20 0.40
▸ SRD5A1 P18405 1/20 0.40
▸ SRD5A2 P31213 1/20 0.40
▸ ESR1 P03372 1/20 0.38
▸ ESR2 Q92731 1/20 0.38
▸ CYSLTR2 Q9NS75 1/20 0.37
▸ CYSLTR1 Q9Y271 1/20 0.37

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
SCHEMBL5152840 1.00 CYP4F2 (0.44) CYP4F2CYP4A11GLSPPARGPPARA
SCHEMBL22798882 0.91 GLS (0.42) CYP4F2CYP4A11GLSPPARGPPARA
SCHEMBL20876956 0.86 CYP4F2 (0.46) CYP4F2CYP4A11GLSPPARGPPARA
SCHEMBL31404141 0.84 GLS (0.54) GLSSRD5A1SRD5A2
SCHEMBL4151890 0.84 GLS (0.54) GLSSRD5A1SRD5A2
SCHEMBL4193774 0.83 ESR1 (0.56) CYP4F2CYP4A11PPARGPPARANFKB1
SCHEMBL7290410 0.83 ESR1 (0.56) CYP4F2CYP4A11PPARGPPARANFKB1
SCHEMBL15880867 0.82 CYP4F2 (0.52) CYP4F2CYP4A11GLSPPARGPPARA
SCHEMBL20294408 0.82 CYP4F2 (0.43) CYP4F2CYP4A11GLSNFKB1NFKB2
SCHEMBL19510567 0.82 CYP4F2 (0.42) CYP4F2CYP4A11PPARGPPARANFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050215594-A1 2,6-Substituted chroman derivatives useful as beta-3 adrenoreceptor agonists BAYER PHARMACEUTICALS CORPORATION (US) 2005-09-29 — — US disclosed
US-6919371-B2 2,6-substituted chroman derivatives useful as beta-3 adrenoreceptor agonists BAYER PHARMACEUTICALS CORPORATION (US) 2005-07-19 — — US disclosed
US-20040072828-A1 2,6-Substituted chroman derivatives useful as beta-3 adrenoreceptor agonists BAYER PHARMACEUTICALS CORPORATION 2004-04-15 — — US disclosed
US-6660752-B2 Adrenergic blocking agents BAYER PHARMACEUTICALS CORPORATION 2003-12-09 — — US disclosed
US-20030078260-A1 2,6-Substituted chroman derivatives useful as beta-3 adrenoreceptor agonists BAYER PHARMACEUTICALS CORPORATION 2003-04-24 — — 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 (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-20050215594-A1 2,6-Substituted chroman derivatives useful as beta-3 adrenoreceptor agonists ADRB3, ADRB2, ADRB1 CYP4F2 1430/4885CYP4A11 587/4885GLS 3708/4885
US-20040072828-A1 2,6-Substituted chroman derivatives useful as beta-3 adrenoreceptor agonists ADRB3, ADRB2, ADRB1 CYP4F2 1430/4885CYP4A11 587/4885GLS 3708/4885
US-20030078260-A1 2,6-Substituted chroman derivatives useful as beta-3 adrenoreceptor agonists ADRB3, ADRB2, ADRB1 CYP4F2 1430/4885CYP4A11 587/4885GLS 3708/4885

“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.