SCHEMBL6002858

SCHEMBL6002858

COc1cc(C(=O)O)cc(S)c1N.COc1cc(C(=O)O)cc2sc(C(F)(F)F)nc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.37
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA4 P22748 2/20 0.37
CA6 P23280 2/20 0.37
CA7 P43166 2/20 0.37
CA9 Q16790 2/20 0.37
CA14 Q9ULX7 2/20 0.37
PKM P14618 2/20 0.37
CA3 P07451 1/20 0.37
CA5A P35218 1/20 0.37
CA5B Q9Y2D0 1/20 0.37
PTGS2 P35354 1/20 0.35
NR1H4 Q96RI1 6/20 0.34
TPMT P51580 2/20 0.34
MAPT P10636 4/20 0.33
CNR2 P34972 1/20 0.33
KMT2A Q03164 1/20 0.32
HTT P42858 1/20 0.32
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL5068850 0.91 CA12 (0.44) CA12CA1CA2CA4CA6
SCHEMBL6002863 0.90 MAPT (0.32) PKMMAPTKMT2AALDH1A1PDE4B
SCHEMBL6000924 0.85 RAB9A (0.42) CA12CA1CA2CA4CA6
SCHEMBL5069164 0.78 CA12 (0.58) CA12CA1CA2CA4CA6
SCHEMBL20554137 0.77 CYP3A4 (0.51) CA12CA1CA2CA4CA6
SCHEMBL6000928 0.75 RAB9A (0.39) PKMMAPTKMT2A
SCHEMBL23195620 0.73 CA12 (0.49) CA12CA1CA2CA4CA6
SCHEMBL5069175 0.73 RAB9A (0.49) CA12CA1CA2CA4CA6
SCHEMBL19899948 0.73 CA12 (0.49) CA12CA1CA2CA4CA6
SCHEMBL20554083 0.72 ALDH1A1 (0.51) CA12CA1CA2CA4CA6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060229286-A1 Compound inhibiting dipeptidyl peptidase IV SANWA KAGAKU KENKYUSHO CO., LTD. (JP) 2006-10-12 US 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-20060229286-A1 Compound inhibiting dipeptidyl peptidase IV DPP4, DPP3, DPP7 CA12 897/4885CA1 1785/4885CA2 751/4885

“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.