SCHEMBL15420716

SCHEMBL15420716

O=C(O)N[C@H]1COCC[C@@H]1COc1ccc(-n2cc(Cl)cn2)cc1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.39
RIPK2 O43353 3/20 0.39
CYP46A1 Q9Y6A2 3/20 0.37
AXL P30530 3/20 0.36
MERTK Q12866 3/20 0.36
HRH3 Q9Y5N1 1/20 0.36
GCGR P47871 1/20 0.36
FFAR4 Q5NUL3 2/20 0.36
PTGES O14684 2/20 0.35
PTGS2 P35354 1/20 0.35
ATF4 P18848 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
SCHEMBL12989171 0.93 CHRM1 (0.40) CHRM1RIPK2CYP46A1AXLMERTK
SCHEMBL12989178 0.93 CHRM1 (0.40) CHRM1RIPK2CYP46A1AXLMERTK
SCHEMBL15420585 0.93 CHRM1 (0.40) CHRM1RIPK2CYP46A1AXLMERTK
SCHEMBL15420237 0.86 CHRM1 (0.36) CHRM1RIPK2CYP46A1FFAR4PTGES
SCHEMBL15420469 0.84 CHRM1 (0.35) CHRM1RIPK2CYP46A1AXLMERTK
SCHEMBL15420522 0.83 CHRM1 (0.35) CHRM1RIPK2CYP46A1AXLMERTK
SCHEMBL15420270 0.83 CYP17A1 (0.34) CHRM1RIPK2CYP46A1AXLHRH3
SCHEMBL12989883 0.83 CHRM1 (0.42) CHRM1RIPK2AXLMERTKHRH3
SCHEMBL12989884 0.83 CHRM1 (0.42) CHRM1RIPK2AXLMERTKHRH3
SCHEMBL15420296 0.81 CYP46A1 (0.33) CHRM1RIPK2CYP46A1HRH3FFAR4

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 CHRM1 227/4885RIPK2 3786/4885CYP46A1 1863/4885

“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.