SCHEMBL4470655

SCHEMBL4470655

Fc1cc(F)cc(C(Cl)(Cl)c2cc(F)cc(F)c2)c1

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA9 Q16790 1/20 0.38
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33

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
SCHEMBL11549013 0.81 CA12 (0.38) CA12CA1CA9CES2CES1
SCHEMBL4465184 0.73 KCNN4 (0.50) CES2CES1
SCHEMBL9693899 0.71 CES2 (0.42) CA12CA1CA9CES2CES1
SCHEMBL449836 0.71
SCHEMBL19225328 0.69 CA12 (0.45) CA12CA1CA9CES2CES1
SCHEMBL16105792 0.69 ALOX15 (0.40) CA12CA1CA9CES2CES1
SCHEMBL4460787 0.69 KCNN4 (0.42) CA1CA9CES2CES1
SCHEMBL179354 0.69 GABRA1 (0.46) CA12CA1CA9CES2CES1
SCHEMBL16105739 0.67 ESR1 (0.40) CA12CA1CA9CES2CES1
SCHEMBL29032005 0.67 CA12 (0.57) CA12CA1CA9CES2CES1

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-7576088-B2 Benzodioxole derivatives HOFFMAN-LA ROCHE INC. (US) 2009-08-18 US disclosed
EP-1532132-B1 NOVEL BENZODIOXOLES HOFFMANN LA ROCHE (CH) 2008-03-19 EP disclosed
US-20050143373-A1 Benzodioxole derivatives ALANINE ALEXANDER (FR) 2005-06-30 US disclosed
US-6900227-B2 Benzodioxole derivatives HOFFMANN-LA ROCHE INC. (US) 2005-05-31 US disclosed
EP-1532132-A1 NOVEL BENZODIOXOLES F.HOFFMANN-LA ROCHE AG (CH) 2005-05-25 EP disclosed
US-20040142922-A1 Benzodioxole derivatives HOFFMANN-LA ROCHE INC. 2004-07-22 US disclosed
WO-2004013120-A1 NOVEL BENZODIOXOLES F. HOFFMANN-LA ROCHE AG (CH) 2004-02-12 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-20050143373-A1 Benzodioxole derivatives CNR2, CNR1, GPR119 CA12 3791/4885CA1 4154/4885CA9 2119/4885
US-20040142922-A1 Benzodioxole derivatives CNR1, CNR2, GPR119 CA12 3855/4885CA1 3482/4885CA9 2110/4885

“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.