SCHEMBL15420344

SCHEMBL15420344

O=S(=O)(CC(F)(F)F)NC1CCCCC1COc1ccc(C2CC2)cc1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 8/20 0.35
CACNA1G O43497 1/20 0.34
CACNA1H O95180 1/20 0.34
CACNA1I Q9P0X4 1/20 0.34
ACACB O00763 4/20 0.33
KCNH2 Q12809 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
GAA P10253 2/20 0.32
DRD2 P14416 1/20 0.32
DRD1 P21728 1/20 0.32
DRD4 P21917 1/20 0.32
DRD5 P21918 1/20 0.32
DRD3 P35462 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
INSR P06213 1/20 0.32
ALK Q9UM73 1/20 0.32

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
SCHEMBL15440977 1.00 HCRTR2 (0.35) HCRTR2CACNA1GCACNA1HCACNA1IACACB
SCHEMBL15420345 1.00 HCRTR2 (0.35) HCRTR2CACNA1GCACNA1HCACNA1IACACB
SCHEMBL15420386 0.85 KMT2A (0.42) ACACBGAAALDH1A1LMNAINSR
SCHEMBL15440680 0.85 KMT2A (0.42) ACACBGAAALDH1A1LMNAINSR
SCHEMBL15420389 0.85 KMT2A (0.42) ACACBGAAALDH1A1LMNAINSR
SCHEMBL12987969 0.81 GRIA4 (0.48) HCRTR2KCNH2
SCHEMBL12987970 0.81 GRIA4 (0.48) HCRTR2KCNH2
SCHEMBL15440976 0.81 GRIA4 (0.48) HCRTR2KCNH2
SCHEMBL12987699 0.81 HCRTR2 (0.48) HCRTR2KCNH2HRH3GAAALDH1A1
SCHEMBL12987697 0.81 HCRTR2 (0.48) HCRTR2KCNH2HRH3GAAALDH1A1

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 383/4885CACNA1G 838/4885CACNA1H 715/4885

“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.