SCHEMBL12987135

SCHEMBL12987135

CCOC(=O)[C@@H]1CC(F)(F)CC[C@@H]1NCc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPID Q08752 1/20 0.41
KCNQ3 O43525 2/20 0.39
KCNQ2 O43526 2/20 0.39
KCNQ4 P56696 1/20 0.39
KCNQ5 Q9NR82 1/20 0.39
PKM P14618 3/20 0.39
MAPT P10636 2/20 0.39
FUCA1 P04066 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
EBP Q15125 1/20 0.39
GRM2 Q14416 1/20 0.38
GRM3 Q14832 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CCR2 P41597 1/20 0.38
LMNA P02545 2/20 0.37
CTSB P07858 1/20 0.37
NAMPT P43490 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL12987132 1.00 PPID (0.41) PPIDKCNQ3KCNQ2KCNQ4KCNQ5
SCHEMBL12987139 1.00 PPID (0.41) PPIDKCNQ3KCNQ2KCNQ4KCNQ5
SCHEMBL12987097 0.84 GRM2 (0.46) KCNQ3KCNQ2KCNQ4KCNQ5MAPT
SCHEMBL12987093 0.84 GRM2 (0.46) KCNQ3KCNQ2KCNQ4KCNQ5MAPT
SCHEMBL28380648 0.84 CPB1 (0.54) CTSB
SCHEMBL1770076 0.84 CPB1 (0.54) CTSB
SCHEMBL9729099 0.84 CCR1 (0.40) PPIDPKMMAPTSMN1; SMN2GRM2
SCHEMBL12986869 0.81 KCNQ3 (0.51) KCNQ3KCNQ2KCNQ4KCNQ5PKM
SCHEMBL13282255 0.81 CTSB (0.47) PPIDPKMMAPTSMN1; SMN2NPSR1
SCHEMBL4489378 0.81 CTSB (0.47) PPIDPKMMAPTSMN1; SMN2NPSR1

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 6 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
EP-2694472-A2 SULFONAMIDE DERIVATIVE AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2014-02-12 EP disclosed
US-20140024650-A1 SULFONAMIDE DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-01-23 US disclosed
WO-2012137982-A9 SULFONAMIDE DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-02-14 WO disclosed
WO-2012137982-A2 SULFONAMIDE DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-10-11 WO 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 PPID 3713/4885KCNQ3 2206/4885KCNQ2 1464/4885

“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.