SCHEMBL6000928

SCHEMBL6000928

COc1cc(C(=O)OC(=O)c2cc(OC)c3nc(C)sc3c2)cc(S)c1N

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.39
MAPT P10636 5/20 0.39
POLB P06746 1/20 0.39
TSHR P16473 1/20 0.38
NPC1 O15118 6/20 0.36
RXFP1 Q9HBX9 4/20 0.36
KMT2A Q03164 4/20 0.36
MEN1 O00255 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.33
NPSR1 Q6W5P4 1/20 0.33
PKM P14618 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HPGD P15428 1/20 0.33
ALOX15 P16050 1/20 0.32
ATM Q13315 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
SCHEMBL6000924 0.89 RAB9A (0.42) RAB9AMAPTPOLBTSHRNPC1
SCHEMBL6002863 0.85 MAPT (0.32) MAPTRXFP1KMT2ASMN1; SMN2NPSR1
SCHEMBL20094718 0.81 RAB9A (0.48) RAB9AMAPTPOLBTSHRNPC1
SCHEMBL5069175 0.77 RAB9A (0.49) RAB9AMAPTPOLBTSHRNPC1
SCHEMBL6002858 0.75 CA12 (0.37) MAPTKMT2APKM
SCHEMBL642545 0.72 CYP3A4 (0.50) MAPTKMT2APKMKDM4E
SCHEMBL28619570 0.69 MAPT (0.46) RAB9AMAPTPOLBTSHRNPC1
SCHEMBL20554137 0.68 CYP3A4 (0.51) MAPTTSHRKMT2APKM
SCHEMBL20031462 0.68 ALDH1A1 (0.46) RAB9AMAPTNPC1RXFP1KMT2A
SCHEMBL5069164 0.68 CA12 (0.58) RAB9ATSHRKMT2APKM

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.