Sugi Predict

Sugi Predict / Compounds / SCHEMBL3578968

SCHEMBL3578968

SCHEMBL3578968

CC(C)c1oc2cc(OS(=O)(=O)C(F)(F)F)ccc2c(=O)c1-c1ccc(Cl)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 7/20 0.50
▸ CA2 P00918 7/20 0.50
▸ ALPL P05186 4/20 0.41
▸ ALPI P09923 3/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ LMNA P02545 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ CYP19A1 P11511 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ HSD11B1 P28845 1/20 0.40
▸ AR P10275 1/20 0.39
▸ CA12 O43570 1/20 0.38
▸ CA3 P07451 1/20 0.38
▸ CA4 P22748 1/20 0.38
▸ CA6 P23280 1/20 0.38
▸ CA5A P35218 1/20 0.38
▸ CA7 P43166 1/20 0.38
▸ CA9 Q16790 1/20 0.38

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
SCHEMBL14185196 0.80 KDM4E (0.57) CA1CA2ALDH1A1LMNASMN1; SMN2
SCHEMBL3577904 0.80 CA1 (0.52) CA1CA2ALDH1A1CA12CA3
SCHEMBL14185253 0.79 CA1 (0.52) CA1CA2ALDH1A1LMNASMN1; SMN2
SCHEMBL3583010 0.79 CA1 (0.52) CA1CA2ALDH1A1LMNASMN1; SMN2
SCHEMBL3587585 0.78 ALPL (0.36) CA1CA2ALPLALPIALDH1A1
SCHEMBL3589703 0.77 CA12 (0.54) CA1CA2ALDH1A1CYP19A1CYP2C9
SCHEMBL3579502 0.76 CA1 (0.58) CA1CA2ALDH1A1CA12CA3
SCHEMBL14185215 0.76 MAPT (0.48) CA1CA2ALDH1A1LMNASMN1; SMN2
SCHEMBL30301334 0.75 HSD11B1 (0.51) CA1CA2ALPLALPIALDH1A1
SCHEMBL1938706 0.75 HSD11B1 (0.51) CA1CA2ALPLALPIALDH1A1

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 7 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
US-20080114056-A1 Chromone Derivatives Useful as Vanilloid Antagonists NOVARTIS AG (CH) 2008-05-15 — — US disclosed
WO-2007065888-A1 CHROMONE DERIVATIVES USEFUL AS ANTAGONISTS OF VR1 RECEPTORS NOVARTIS AG (CH) 2007-06-14 — — WO disclosed
EP-1756080-A1 CHROMONE DERIVATIVES USEFUL AS VANILLOID ANTAGONISTS Novartis AG (CH) 2007-02-28 — — EP disclosed
WO-2005121116-A1 CHROMONE DERIVATIVES USEFUL AS VANILLOID ANTAGONISTS NOVARTIS AG (CH) 2005-12-22 — — 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-20080114056-A1 Chromone Derivatives Useful as Vanilloid Antagonists TRPV1, CHRM3, TRPV3 CA1 1347/4885CA2 224/4885ALPL 4438/4885
US-20080312316-A1 Chromone Derivatives Useful as Antagonists of Vr1 Receptors VRK1, VRK2, ARRB1 CA1 2466/4885CA2 628/4885ALPL 4331/4885

“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.