SCHEMBL6700261

SCHEMBL6700261

CC(C)(N)CNc1ccc(S(C)(=O)=O)cc1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 1/20 0.42
CA1 P00915 7/20 0.42
CA2 P00918 7/20 0.42
CA12 O43570 4/20 0.41
CA9 Q16790 4/20 0.41
TGM2 P21980 1/20 0.40
ENPP2 Q13822 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
LOX P28300 1/20 0.38
LOXL2 Q9Y4K0 1/20 0.38
ALDH1A1 P00352 1/20 0.38
ALDH3A1 P30838 1/20 0.38

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
SCHEMBL6695888 0.81 LMNA (0.50) CA1CA2SMN1; SMN2LOXALDH1A1
SCHEMBL6695914 0.79 LMNA (0.53) SMN1; SMN2ALDH1A1
SCHEMBL6703753 0.78 CA2 (0.40) GHSRCA1CA2CA9TGM2
SCHEMBL6697727 0.77 ALDH1A1 (0.56) ALDH1A1
SCHEMBL6702326 0.76 HPGD (0.43) SMN1; SMN2LOXLOXL2ALDH1A1
SCHEMBL3656414 0.75 MAPT (0.52) GHSRCA1CA2CA12CA9
SCHEMBL6698866 0.75 MAPT (0.54) GHSRCA1CA2CA12CA9
SCHEMBL13589540 0.74 CA1 (0.45) GHSRCA1CA2CA12CA9
SCHEMBL4696380 0.74 MAPT (0.61) CA1CA2SMN1; SMN2ALDH1A1
SCHEMBL13123461 0.73 ENPP2 (0.45) GHSRCA1CA2CA12CA9

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-20040180925-A1 Dipeptidylpeptidase-IV inhibitor KYOWA HAKKO KOGYO CO., LTD. (JP) 2004-09-16 US disclosed
EP-1354882-A1 DIPEPTIDYL PEPTIDASE IV INHIBITOR KYOWA HAKKO KOGYO CO., LTD. (JP) 2003-10-22 EP 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-20040180925-A1 Dipeptidylpeptidase-IV inhibitor DPP4, DPP3, DPP9 GHSR 295/4885CA1 845/4885CA2 467/4885

“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.