SCHEMBL3587585

SCHEMBL3587585

COc1c(OS(=O)(=O)C(F)(F)F)ccc2c(=O)c(-c3ccc(Cl)cc3)c(C(C)C)oc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALPL P05186 2/20 0.36
ALPI P09923 2/20 0.36
CA1 P00915 5/20 0.36
CA2 P00918 5/20 0.36
GAA P10253 1/20 0.35
MAOA P21397 1/20 0.35
CYP1A1 P04798 2/20 0.34
CYP1A2 P05177 2/20 0.34
CYP1B1 Q16678 2/20 0.34
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CETP P11597 1/20 0.32
BCL9 O00512 2/20 0.32
CTNNB1 P35222 2/20 0.32
CA12 O43570 1/20 0.32
CA3 P07451 1/20 0.32
CA4 P22748 1/20 0.32
CA6 P23280 1/20 0.32
CA5A P35218 1/20 0.32
CA7 P43166 1/20 0.32

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
SCHEMBL3586172 0.80 CYP19A1 (0.41) CA1CA2GAAMAOACYP1A1
SCHEMBL3580492 0.78 GAA (0.52) CA1CA2GAAMAOAKDM4E
SCHEMBL3580548 0.78 CA1 (0.46) CA1CA2GAACYP1A1CYP1A2
SCHEMBL3578968 0.78 CA1 (0.50) ALPLALPICA1CA2CYP1A2
SCHEMBL3584338 0.77 CA1 (0.41) CA1CA2GAAMAOACYP1A1
SCHEMBL3589304 0.72 GAA (0.37) CA1CA2GAAMAOACYP1A1
SCHEMBL3589603 0.72 GAA (0.45) CA1CA2GAAKDM4EALDH1A1
SCHEMBL14185173 0.71 GAA (0.51) CA1CA2GAAMAOAKDM4E
SCHEMBL14185207 0.71 MAOA (0.49) CA1GAAMAOACYP1A1CYP1A2
SCHEMBL14185199 0.69 CA1 (0.43) CA1CA2GAAKDM4EALDH1A1

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-7732435-B2 Chromone derivatives useful as antagonists of VR1 receptors NOVARTIS AG (CH) 2010-06-08 US disclosed
US-20080312316-A1 Chromone Derivatives Useful as Antagonists of Vr1 Receptors CULSHAW ANDREW JAMES 2008-12-18 US disclosed
EP-1963334-A1 CHROMONE DERIVATIVES USEFUL AS ANTAGONISTS OF VR1 RECEPTORS Novartis AG (CH) 2008-09-03 EP disclosed
WO-2007065888-A1 CHROMONE DERIVATIVES USEFUL AS ANTAGONISTS OF VR1 RECEPTORS NOVARTIS AG (CH) 2007-06-14 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-20080312316-A1 Chromone Derivatives Useful as Antagonists of Vr1 Receptors VRK1, VRK2, ARRB1 ALPL 4331/4885ALPI 2492/4885CA1 2466/4885

“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.