SCHEMBL3369690

SCHEMBL3369690

COc1cc(F)c(S(=O)(=O)Cl)cc1OC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 1/20 0.50
POLB P06746 2/20 0.42
ALDH1A1 P00352 3/20 0.40
GAA P10253 2/20 0.40
KDM4E B2RXH2 2/20 0.40
PKM P14618 2/20 0.39
TSHR P16473 4/20 0.38
MAPK1 P28482 2/20 0.38
HTR2A P28223 3/20 0.37
HTR2C P28335 3/20 0.37
HTR2B P41595 3/20 0.37
PTGS2 P35354 2/20 0.37
KMT2A Q03164 2/20 0.37
LMNA P02545 2/20 0.37
MEN1 O00255 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.36
TP53 P04637 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MTNR1A P48039 1/20 0.36

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
SCHEMBL16926596 0.90 TRPV4 (0.49) TRPV4POLBALDH1A1GAAKDM4E
SCHEMBL19743542 0.87 TRPV4 (0.50) TRPV4POLBALDH1A1GAAKDM4E
SCHEMBL29985141 0.87 ALDH1A1 (0.51) TRPV4POLBALDH1A1GAAKDM4E
SCHEMBL19743262 0.87 SMN1; SMN2 (0.48) TRPV4POLBALDH1A1GAATSHR
SCHEMBL1939890 0.87 ALDH1A1 (0.51) TRPV4POLBALDH1A1GAAKDM4E
SCHEMBL29984551 0.87 SMN1; SMN2 (0.48) TRPV4POLBALDH1A1GAATSHR
SCHEMBL21545479 0.81 TRPV4 (0.41) TRPV4ALDH1A1KDM4EMAPK1KMT2A
SCHEMBL21545354 0.81 KDM4E (0.51) TRPV4ALDH1A1KDM4EPKMMAPK1
SCHEMBL2496224 0.81 TRPV4 (0.60) TRPV4POLBALDH1A1GAAKDM4E
SCHEMBL29709827 0.81 TRPV4 (0.60) TRPV4POLBALDH1A1GAAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1716132-B1 SPIRO-BENZODIOXOLES AND THEIR USE AS CB1 ANTAGONISTS HOFFMANN LA ROCHE (CH) 2010-08-25 EP disclosed
US-7576088-B2 Benzodioxole derivatives HOFFMAN-LA ROCHE INC. (US) 2009-08-18 US disclosed
CN-100486973-C Novel benzodioxoles HOFFMANN LA ROCHE (CH) 2009-05-13 CN disclosed
EP-1532132-B1 NOVEL BENZODIOXOLES HOFFMANN LA ROCHE (CH) 2008-03-19 EP disclosed
US-7144890-B2 Spiro-pentacyclic compounds HOFFMAN-LA ROCHE INC. (US) 2006-12-05 US disclosed
EP-1716132-A2 SPIRO-BENZODIOXOLES AND THEIR USE AS CB1 ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2006-11-02 EP disclosed
CN-1671684-A New benzodioxoles HOFFMANN LA ROCHE (CH) 2005-09-21 CN disclosed
WO-2005075450-A2 SPIRO-BENZODIOXOLES AND THEIR USE AS CB1 ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2005-08-18 WO disclosed
US-20050165012-A1 Spiro-pentacyclic compounds HOFFMANN-LA ROCHE INC. 2005-07-28 US 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 (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-20050143373-A1 Benzodioxole derivatives CNR2, CNR1, GPR119 TRPV4 179/4885POLB 4170/4885ALDH1A1 607/4885
US-20040142922-A1 Benzodioxole derivatives CNR1, CNR2, GPR119 TRPV4 182/4885POLB 4219/4885ALDH1A1 299/4885
US-20050165012-A1 Spiro-pentacyclic compounds CNR1, CNR2, GPR119 TRPV4 189/4885POLB 4571/4885ALDH1A1 454/4885

“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.