SCHEMBL6526494

SCHEMBL6526494

CCNc1ccc(OC(C)C(F)(F)F)cc1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 11/20 0.41
MAPT P10636 3/20 0.40
GAA P10253 1/20 0.40
RORC P51449 1/20 0.38
POLB P06746 1/20 0.37
ALDH1A1 P00352 1/20 0.37
KMT2A Q03164 1/20 0.37
NLRP1 Q9C000 1/20 0.37
GLA P06280 1/20 0.37
LMNA P02545 1/20 0.36
AR P10275 2/20 0.35

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
SCHEMBL12895734 0.81 P2RX3 (0.54) P2RX3MAPTGAAPOLBALDH1A1
SCHEMBL28806812 0.80 KIF11 (0.41) P2RX3RORCGLA
SCHEMBL6524362 0.80 KIF11 (0.41) P2RX3RORCGLA
Hydrochloric Acid SCHEMBL28806807 0.79 KIF11 (0.40) P2RX3RORCALDH1A1GLA
Hydrochloric Acid SCHEMBL28806809 0.79 KIF11 (0.40) P2RX3RORCALDH1A1GLA
SCHEMBL20969648 0.78 P2RX3 (0.45) P2RX3MAPTGAAALDH1A1KMT2A
SCHEMBL12473138 0.78 MAPK1 (0.53) P2RX3MAPTGAAALDH1A1KMT2A
Hydrochloric Acid SCHEMBL31255681 0.77 MAPK1 (0.51) P2RX3MAPTGAAALDH1A1KMT2A
SCHEMBL747450 0.74 POLB (0.59) MAPTGAAPOLBALDH1A1KMT2A
SCHEMBL17707975 0.74 ACHE (0.41) P2RX3MAPTPOLBALDH1A1KMT2A

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 5 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 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 P2RX3 876/4885MAPT 4639/4885GAA 901/4885

“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.