SCHEMBL15420531

SCHEMBL15420531

Cc1cnn(-c2ccc(OCC3COCCC3NC(=O)O)cc2F)c1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.39
HCRTR2 O43614 4/20 0.38
HCRTR1 O43613 2/20 0.38
IDH1 O75874 2/20 0.38
KAT5 Q92993 1/20 0.36
AXL P30530 5/20 0.36
MERTK Q12866 5/20 0.36
MAPK8 P45983 1/20 0.36
MAPK9 P45984 1/20 0.36
MAPK10 P53779 1/20 0.36
CHRM1 P11229 1/20 0.35
GRM5 P41594 1/20 0.34
RIPK2 O43353 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 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
SCHEMBL15420303 0.91 CYP46A1 (0.39) HCRTR2AXLMERTKMAPK8MAPK9
SCHEMBL15420173 0.87 HCRTR2 (0.36) SYKHCRTR2HCRTR1IDH1KAT5
SCHEMBL15440891 0.87 HCRTR2 (0.36) SYKHCRTR2HCRTR1IDH1KAT5
SCHEMBL15440879 0.87 HCRTR2 (0.36) SYKHCRTR2HCRTR1IDH1KAT5
SCHEMBL12989883 0.86 CHRM1 (0.42) HCRTR2HCRTR1KAT5AXLMERTK
SCHEMBL12989884 0.86 CHRM1 (0.42) HCRTR2HCRTR1KAT5AXLMERTK
SCHEMBL12989834 0.84 SYK (0.40) SYKHCRTR2HCRTR1IDH1KAT5
Hydrochloric Acid SCHEMBL15420138 0.83 SYK (0.39) SYKHCRTR2HCRTR1IDH1KAT5
SCHEMBL15420260 0.83 KAT5 (0.40) HCRTR2KAT5CHRM1RIPK2
SCHEMBL15420023 0.79 GRM5 (0.35) KAT5AXLMERTKMAPK8MAPK9

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 SYK 56/4885HCRTR2 383/4885HCRTR1 560/4885

“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.