SCHEMBL15420805

SCHEMBL15420805

O=C(O)N[C@H]1CCOC[C@@H]1COc1ccc(-c2ncc(Cl)cn2)cc1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HSD17B10 Q99714 1/20 0.39
HDAC4 P56524 2/20 0.36
XDH P47989 2/20 0.36
HPGDS O60760 1/20 0.36
ATF4 P18848 1/20 0.36
PIK3CA P42336 1/20 0.36
MTOR P42345 1/20 0.36
FFAR4 Q5NUL3 4/20 0.35
PTGES O14684 2/20 0.35
GABRA5 P31644 1/20 0.35
PTGS2 P35354 1/20 0.35
P2RX3 P56373 1/20 0.34
P2RX2 Q9UBL9 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
SCHEMBL15420045 0.90 GRM5 (0.39) HDAC4XDHHPGDSPIK3CAMTOR
SCHEMBL15420648 0.88 DGAT1 (0.39) XDHATF4FFAR4GABRA5
SCHEMBL12989747 0.88 DGAT1 (0.39) XDHATF4FFAR4GABRA5
SCHEMBL12989748 0.88 DGAT1 (0.39) XDHATF4FFAR4GABRA5
SCHEMBL15420496 0.85 P2RX3 (0.40) FFAR4P2RX3P2RX2
SCHEMBL15419838 0.85 P2RX3 (0.40) FFAR4P2RX3P2RX2
SCHEMBL15420429 0.83 P2RX3 (0.45) P2RX3P2RX2
SCHEMBL15420329 0.83 P2RX3 (0.45) P2RX3P2RX2
SCHEMBL15420811 0.83 NPC1 (0.41) NPC1RAB9ASMN1; SMN2HSD17B10XDH
SCHEMBL15420521 0.83 NPC1 (0.44) NPC1RAB9ASMN1; SMN2HSD17B10XDH

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 NPC1 2770/4885RAB9A 3305/4885SMN1; SMN2 770/4885

“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.