SCHEMBL7992248

SCHEMBL7992248

CC(CCn1nc(C(F)(F)F)c2c1CCCC2)C(=O)NCc1ccc(S(N)(=O)=O)cc1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.51
GRIA2 P42262 5/20 0.49
CYP1A2 P05177 2/20 0.48
CYP2C9 P11712 1/20 0.48
MAPT P10636 5/20 0.46
LMNA P02545 2/20 0.45
GAA P10253 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C19 P33261 1/20 0.45
ALDH1A1 P00352 1/20 0.45
HTT P42858 1/20 0.45
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA7 P43166 1/20 0.43
CA14 Q9ULX7 1/20 0.43
TP53 P04637 1/20 0.43

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
SCHEMBL1889915 0.88 SMN1; SMN2 (0.55) SMN1; SMN2GRIA2CYP1A2CYP2C9MAPT
SCHEMBL1893014 0.88 MAPT (0.46) GRIA2CYP1A2CYP2C9MAPTLMNA
SCHEMBL1008414 0.84 ALDH1A1 (0.56) SMN1; SMN2GRIA2CYP1A2CYP2C9MAPT
SCHEMBL1007129 0.80 MAPT (0.53) SMN1; SMN2CYP1A2MAPTLMNACYP3A4
SCHEMBL1889998 0.79 SMN1; SMN2 (0.46) SMN1; SMN2GRIA2CYP1A2MAPTLMNA
SCHEMBL1895516 0.79 SMN1; SMN2 (0.52) SMN1; SMN2GRIA2CYP1A2CYP2C9MAPT
SCHEMBL1007548 0.78 MAPT (0.56) SMN1; SMN2CYP1A2MAPTLMNAGAA
SCHEMBL1007286 0.76 ALDH1A1 (0.62) SMN1; SMN2CYP1A2MAPTLMNAGAA
SCHEMBL1008280 0.76 MAPT (0.49) SMN1; SMN2CYP1A2MAPTLMNAGAA
SCHEMBL1898637 0.76 POLQ (0.52) SMN1; SMN2CYP1A2MAPTLMNAGAA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110118236-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-05-19 US disclosed
US-20110118236-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-05-19 US disclosed
EP-2269990-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2011-01-05 EP disclosed
WO-2009119088-A1 HETEROCYCLIC COMPOUND 武田薬品工業株式会社 (JP) 2009-10-01 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-20110118236-A1 HETEROCYCLIC COMPOUND GRIN1, GRM1, GRIK1 SMN1; SMN2 3616/4885GRIA2 23/4885CYP1A2 2476/4885

“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.