SCHEMBL6000924

SCHEMBL6000924

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.42
MAPT P10636 2/20 0.42
POLB P06746 1/20 0.42
NPC1 O15118 5/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CA12 O43570 2/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA4 P22748 2/20 0.39
CA6 P23280 2/20 0.39
CA7 P43166 2/20 0.39
CA9 Q16790 2/20 0.39
CA14 Q9ULX7 2/20 0.39
CA3 P07451 1/20 0.39
PKM P14618 1/20 0.39
CA5A P35218 1/20 0.39
CA5B Q9Y2D0 1/20 0.39
TSHR P16473 1/20 0.38
PTGS2 P35354 1/20 0.38
CNR2 P34972 1/20 0.37

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
SCHEMBL6000928 0.89 RAB9A (0.39) RAB9AMAPTPOLBNPC1SMN1; SMN2
SCHEMBL5069175 0.89 RAB9A (0.49) RAB9AMAPTPOLBNPC1SMN1; SMN2
SCHEMBL6002858 0.85 CA12 (0.37) MAPTCA12CA1CA2CA4
SCHEMBL5069164 0.80 CA12 (0.58) RAB9ACA12CA1CA2CA4
SCHEMBL20554137 0.79 CYP3A4 (0.51) MAPTCA12CA1CA2CA4
SCHEMBL22672670 0.77 RAB9A (0.46) RAB9AMAPTPOLBNPC1SMN1; SMN2
SCHEMBL20094718 0.77 RAB9A (0.48) RAB9AMAPTPOLBNPC1SMN1; SMN2
SCHEMBL23195620 0.75 CA12 (0.49) RAB9AMAPTCA12CA1CA2
SCHEMBL19899948 0.75 CA12 (0.49) MAPTCA12CA1CA2CA4
SCHEMBL6002863 0.75 MAPT (0.32) MAPTSMN1; SMN2PKMKMT2ARXFP1

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 RAB9A 3667/4885MAPT 4195/4885POLB 4293/4885

“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.