SCHEMBL15420173

SCHEMBL15420173

CCS(=O)(=O)NC1CCOCC1COc1ccc(-n2cc(C)cn2)c(F)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 4/20 0.36
KAT5 Q92993 1/20 0.36
IDH1 O75874 2/20 0.36
SYK P43405 1/20 0.35
HCRTR1 O43613 2/20 0.35
MOGAT2 Q3SYC2 3/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
MELK Q14680 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
GRIN1 Q05586 1/20 0.31
KCNH2 Q12809 1/20 0.31
GRIN2B Q13224 1/20 0.31
MAPK8 P45983 1/20 0.31
MAPK9 P45984 1/20 0.31
MAPK10 P53779 1/20 0.31
GRM5 P41594 1/20 0.31
EED O75530 1/20 0.31

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
SCHEMBL15440879 1.00 HCRTR2 (0.36) HCRTR2KAT5IDH1SYKHCRTR1
SCHEMBL15440891 1.00 HCRTR2 (0.36) HCRTR2KAT5IDH1SYKHCRTR1
SCHEMBL15420692 0.91 CYP46A1 (0.33) KAT5MOGAT2MELKCYP1A2CYP2C9
SCHEMBL12990033 0.91 CYP46A1 (0.33) KAT5MOGAT2MELKCYP1A2CYP2C9
SCHEMBL15441516 0.90 KAT5 (0.39) HCRTR2KAT5HCRTR1MAPK8MAPK9
SCHEMBL15420264 0.90 KAT5 (0.39) HCRTR2KAT5HCRTR1MAPK8MAPK9
SCHEMBL15420531 0.87 SYK (0.39) HCRTR2KAT5IDH1SYKHCRTR1
SCHEMBL15419964 0.87 KAT5 (0.38) HCRTR2KAT5IDH1HCRTR1CHRM1
SCHEMBL15420129 0.87 KAT5 (0.38) HCRTR2KAT5IDH1HCRTR1CHRM1
SCHEMBL15420102 0.87 KAT5 (0.38) HCRTR2KAT5IDH1HCRTR1CHRM1

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 HCRTR2 383/4885KAT5 2329/4885IDH1 2051/4885

“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.