SCHEMBL6002863

SCHEMBL6002863

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

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.32
RXFP1 Q9HBX9 2/20 0.32
NPSR1 Q6W5P4 1/20 0.32
KMT2A Q03164 2/20 0.32
PKM P14618 1/20 0.32
ALDH1A1 P00352 1/20 0.32
PDE4B Q07343 2/20 0.31
PDE3A Q14432 2/20 0.31
RORB Q92753 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL6002858 0.90 CA12 (0.37) MAPTKMT2APKMALDH1A1PDE4B
SCHEMBL6000928 0.85 RAB9A (0.39) MAPTRXFP1NPSR1KMT2APKM
SCHEMBL5068850 0.80 CA12 (0.44) MAPTKMT2APKMALDH1A1PDE4B
SCHEMBL6000924 0.75 RAB9A (0.42) MAPTRXFP1KMT2APKMSMN1; SMN2
SCHEMBL642545 0.70 CYP3A4 (0.50) MAPTKMT2APKMALDH1A1
SCHEMBL20094718 0.66 RAB9A (0.48) MAPTRXFP1KMT2APKMALDH1A1
SCHEMBL20554137 0.66 CYP3A4 (0.51) MAPTKMT2APKM
SCHEMBL20031462 0.66 ALDH1A1 (0.46) MAPTRXFP1NPSR1KMT2APKM
SCHEMBL19900251 0.65 CYP2C9 (0.42) MAPTKMT2APKMALDH1A1SMN1; SMN2
SCHEMBL5069164 0.65 CA12 (0.58) KMT2APKMALDH1A1

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 MAPT 4195/4885RXFP1 426/4885NPSR1 179/4885

“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.