SCHEMBL4672139

SCHEMBL4672139

NC(=O)C1CCc2cc(S(=O)(=O)Cl)ccc2O1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.41
CYP4A11 Q02928 1/20 0.41
CYP2D6 P10635 2/20 0.39
OPRK1 P41145 2/20 0.39
MAPT P10636 2/20 0.36
STS P08842 1/20 0.36
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
PKM P14618 2/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
CA14 Q9ULX7 1/20 0.35
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
ESR1 P03372 1/20 0.35

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
SCHEMBL5848089 0.84 CYP4F2 (0.48) CYP4F2CYP4A11CYP2D6OPRK1STS
SCHEMBL5848090 0.84 CYP4F2 (0.48) CYP4F2CYP4A11CYP2D6OPRK1STS
SCHEMBL5848095 0.84 CYP4F2 (0.48) CYP4F2CYP4A11CYP2D6OPRK1STS
SCHEMBL1064265 0.80 CYP4F2 (0.44) CYP4F2CYP4A11CYP2D6HDAC3HDAC1
SCHEMBL4675636 0.80 PKM (0.64) MAPTHDAC3HDAC1HDAC2PKM
SCHEMBL4672054 0.79 CYP4F2 (0.51) CYP4F2CYP4A11CYP2D6OPRK1NFKB1
SCHEMBL14143246 0.79 CYP4F2 (0.51) CYP4F2CYP4A11CYP2D6OPRK1NFKB1
SCHEMBL4672067 0.78 CYP4F2 (0.45) CYP4F2CYP4A11STSHDAC3HDAC1
SCHEMBL5839879 0.78 ESR1 (0.56) CYP4F2CYP4A11OPRK1HDAC3HDAC1
SCHEMBL5847385 0.78 CYP2D6 (0.50) CYP4F2CYP4A11CYP2D6OPRK1STS

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
EP-1054881-B1 NOVEL SULFONAMIDE SUBSTITUTED CHROMAN DERIVATIVES USEFUL AS BETA-3 ADRENORECEPTOR AGONISTS BAYER CORP (US) 2008-07-30 EP disclosed
EP-1054881-B1 NOVEL SULFONAMIDE SUBSTITUTED CHROMAN DERIVATIVES USEFUL AS BETA-3 ADRENORECEPTOR AGONISTS BAYER CORP (US) 2008-07-30 EP disclosed
US-6903218-B2 Sulfonamide substituted chroman derivatives BAYER PHARMACEUTICALS CORPORATION (US) 2005-06-07 US disclosed
US-20040072843-A1 Novel sulfonamide substituted chroman derivatives useful as beta 3 adrenoreceptor agonists LADOUCEUR GAETAN H (US) 2004-04-15 US disclosed
US-20030073839-A1 Compounds useful for preparation of Beta-3 adrenoreceptor agonist BAYER PHARMACEUTICALS CORPORATION 2003-04-17 US disclosed
EP-1054881-A1 NOVEL SULFONAMIDE SUBSTITUTED CHROMAN DERIVATIVES USEFUL AS BETA-3 ADRENORECEPTOR AGONISTS Bayer Corporation (US) 2000-11-29 EP disclosed
US-6051586-A HYPOGLYCEMIC AGENTS; ANTIDIABETIC AGENTS BAYER CORPORATION (US) 2000-04-18 US disclosed
WO-1999032475-A1 NOVEL SULFONAMIDE SUBSTITUTED CHROMAN DERIVATIVES USEFUL AS BETA-3 ADRENORECEPTOR AGONISTS BAYER CORPORATION (US) 1999-07-01 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 (2 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-20040072843-A1 Novel sulfonamide substituted chroman derivatives useful as beta 3 adrenoreceptor agonists ADRB3, ADRB2, ADRB1 CYP4F2 3065/4885CYP4A11 944/4885CYP2D6 2693/4885
US-20030073839-A1 Compounds useful for preparation of Beta-3 adrenoreceptor agonist ADRB3, ADRB2, ADRB1 CYP4F2 2093/4885CYP4A11 783/4885CYP2D6 1771/4885

“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.