SCHEMBL6524362

SCHEMBL6524362

CNc1ccc(OC(C)C(F)(F)F)cc1

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.41
RORC P51449 1/20 0.40
P2RX3 P56373 14/20 0.37
GLA P06280 1/20 0.36
APP P05067 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL28806812 1.00 KIF11 (0.41) KIF11RORCP2RX3GLAAPP
Hydrochloric Acid SCHEMBL28806809 0.98 KIF11 (0.40) KIF11RORCP2RX3GLAAPP
Hydrochloric Acid SCHEMBL28806807 0.98 KIF11 (0.40) KIF11RORCP2RX3GLAAPP
SCHEMBL6526494 0.80 P2RX3 (0.41) RORCP2RX3GLA
SCHEMBL17707975 0.78 ACHE (0.41) KIF11P2RX3
SCHEMBL2095043 0.77 GLA (0.55) GLAAPP
SCHEMBL11238 0.76 TDP1 (0.43) KIF11APP
SCHEMBL9856281 0.76 ESR2 (0.45) RORCAPP
SCHEMBL2833080 0.76 LDHA (0.42) RORCL3MBTL1
SCHEMBL11433 0.76 TDP1 (0.43) KIF11APP

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
EP-2475644-B1 HSL INHIBITORS USEFUL IN THE TREATMENT OF DIABETES HOFFMANN LA ROCHE (CH) 2014-01-08 EP claimed
CN-114829351-A Novel antimalarial agents containing heterocyclic compounds 卫材R&D管理有限公司 2022-07-29 CN disclosed
EP-2475644-B1 HSL INHIBITORS USEFUL IN THE TREATMENT OF DIABETES HOFFMANN LA ROCHE (CH) 2014-01-08 EP disclosed
US-8258158-B2 HSL inhibitors useful in the treatment of diabetes HOFFMANN-LA ROCHE INC. (US) 2012-09-04 US disclosed
EP-2475644-A1 HSL INHIBITORS USEFUL IN THE TREATMENT OF DIABETES F. Hoffmann-La Roche AG (CH) 2012-07-18 EP disclosed
WO-2011029808-A1 HSL INHIBITORS USEFUL IN THE TREATMENT OF DIABETES F. HOFFMANN-LA ROCHE AG (CH) 2011-03-17 WO disclosed
US-20110065707-A1 NEW HSL INHIBITORS USEFUL IN THE TREATMENT OF DIABETES HOFFMANN-LA ROCHE, INC. 2011-03-17 US 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-20110065707-A1 NEW HSL INHIBITORS USEFUL IN THE TREATMENT OF DIABETES LIPE, PNLIP, LPL KIF11 4707/4885RORC 4666/4885P2RX3 876/4885

“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.