SCHEMBL6700263

SCHEMBL6700263

CC(C)C(N)Nc1ccc(S(C)(=O)=O)cc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 1/20 0.41
ENPP2 Q13822 1/20 0.41
CA1 P00915 8/20 0.40
CA2 P00918 8/20 0.40
CA9 Q16790 5/20 0.40
CA12 O43570 5/20 0.40
CA7 P43166 2/20 0.39
CA14 Q9ULX7 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
ATM Q13315 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
SCHEMBL6695892 0.81 LMNA (0.51) KDM4EALDH1A1LMNAGAAMAPT
SCHEMBL13589509 0.80 TDP1 (0.48) TGM2ENPP2CA1CA2CA9
SCHEMBL22424592 0.77 ENPP2 (0.48) TGM2ENPP2CA1CA2CA9
SCHEMBL6697721 0.76 ALDH1A1 (0.57) KDM4EALDH1A1LMNAMAPT
SCHEMBL6701324 0.73 ALDH1A1 (0.53) CA1CA2CA12ALDH1A1LMNA
SCHEMBL14624918 0.73 CA12 (0.54) TGM2ENPP2CA1CA2CA9
SCHEMBL14624184 0.73 CA12 (0.54) TGM2ENPP2CA1CA2CA9
SCHEMBL31020737 0.73 ALDH1A1 (0.55) TGM2ENPP2CA1CA2CA9
SCHEMBL6701040 0.72 CA12 (0.42) CA12KDM4EALDH1A1LMNAMAPT
SCHEMBL486575 0.71 CA12 (0.64) TGM2ENPP2CA1CA2CA9

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 TGM2 1067/4885ENPP2 821/4885CA1 845/4885

“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.