SCHEMBL5330836

SCHEMBL5330836

CC(C)(C)c1cn2c(OS(=O)(=O)C(F)(F)F)csc2n1

nearest known ligand 0.31

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
HPGD P15428 1/20 0.31
LMNA P02545 2/20 0.31
TSHR P16473 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL5329069 0.72 POLB (0.34) KDM4EALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL8552144 0.64 MAPK1 (0.31)
SCHEMBL5325733 0.62 IDO1 (0.47) KDM4EALDH1A1GAAHPGDLMNA
Hydrochloric Acid SCHEMBL5331192 0.61 IDO1 (0.46) KDM4EALDH1A1GAAHPGDLMNA
SCHEMBL24133763 0.59 PDE4A (0.32)
SCHEMBL1473557 0.59 PTPRZ1 (0.38) ALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL5324745 0.59 MAPT (0.36) KDM4EALDH1A1HPGDLMNATSHR
SCHEMBL1460963 0.58 ALDH1A1 (0.45) KDM4EALDH1A1
SCHEMBL1550855 0.58 PGK1 (0.38) KDM4EALDH1A1GAAHPGDLMNA
Hydrochloric Acid SCHEMBL5327952 0.58 MAPT (0.35) KDM4EALDH1A1HPGDLMNATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070299113-A1 Metabotropic glutamate receptor modulators MERZ PHARMA GMBH & CO. KGAA (DE) 2007-12-27 US disclosed
WO-2007148113-A1 METABOTROPIC GLUTAMATE RECEPTOR MODULATORS MERZ PHARMA GMBH & CO. KGAA (DE) 2007-12-27 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-20070299113-A1 Metabotropic glutamate receptor modulators GRM1, GRM2, GRM3 KDM4E 1726/4885ALDH1A1 2824/4885GAA 3509/4885

“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.