SCHEMBL15420496

SCHEMBL15420496

O=C(O)N[C@H]1CCOC[C@@H]1COc1ccc(-c2ncc(Cl)cc2F)cc1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 5/20 0.40
P2RX2 Q9UBL9 5/20 0.40
FFAR4 Q5NUL3 10/20 0.39
MAPK1 P28482 1/20 0.37
PRKAB2 O43741 1/20 0.37
PRKAG1 P54619 1/20 0.37
PRKAA2 P54646 1/20 0.37
PRKAA1 Q13131 1/20 0.37
PRKAG3 Q9UGI9 1/20 0.37
PRKAG2 Q9UGJ0 1/20 0.37
PRKAB1 Q9Y478 1/20 0.37
FFAR1 O14842 1/20 0.36
GRM5 P41594 1/20 0.36
KCNH2 Q12809 1/20 0.36
GPR119 Q8TDV5 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
SCHEMBL15419838 1.00 P2RX3 (0.40) P2RX3P2RX2FFAR4MAPK1PRKAB2
SCHEMBL15420800 0.93 P2RX3 (0.40) P2RX3P2RX2FFAR4MAPK1PRKAB2
SCHEMBL15420805 0.85 NPC1 (0.39) P2RX3P2RX2FFAR4
SCHEMBL12988095 0.85 SMO (0.40) P2RX3P2RX2FFAR4MAPK1FFAR1
SCHEMBL15420778 0.85 SMO (0.40) P2RX3P2RX2FFAR4MAPK1FFAR1
SCHEMBL15420723 0.85 SMO (0.40) P2RX3P2RX2FFAR4MAPK1FFAR1
SCHEMBL12987106 0.85 SMO (0.40) P2RX3P2RX2FFAR4MAPK1FFAR1
SCHEMBL15420566 0.85 P2RX3 (0.37) P2RX3P2RX2FFAR4MAPK1FFAR1
SCHEMBL12987872 0.85 P2RX3 (0.37) P2RX3P2RX2FFAR4MAPK1FFAR1
SCHEMBL15420477 0.85 P2RX3 (0.37) P2RX3P2RX2FFAR4MAPK1FFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2694472-B1 SULFONAMIDE DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICALS CO (JP) 2020-03-11 EP disclosed
US-9527807-B2 Sulfonamide derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-12-27 US disclosed
US-20140024650-A1 SULFONAMIDE DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-01-23 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-20140024650-A1 SULFONAMIDE DERIVATIVE AND USE THEREOF GRIN2A, GRIN2B, SLC1A2 P2RX3 1163/4885P2RX2 730/4885FFAR4 277/4885

“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.