SCHEMBL25440241

SCHEMBL25440241

Cc1cc(C)c(S(=O)(=O)ON=C(C(=O)OC(C)C)C(=O)OC(C)C)c(C)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.37
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
F2 P00734 3/20 0.36
PRSS1 P07477 3/20 0.36
PRSS2 P07478 3/20 0.36
PRSS3 P35030 3/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
MMP1 P03956 1/20 0.36
MMP2 P08253 1/20 0.36
MMP9 P14780 1/20 0.36
MMP8 P22894 1/20 0.36
MMP13 P45452 1/20 0.36
ALDH1A1 P00352 3/20 0.35
MAPK1 P28482 1/20 0.35
ADRA1A P35348 1/20 0.34
PDE4D Q08499 1/20 0.34

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
SCHEMBL26325183 0.86 MAPT (0.36) MAPTKMT2AMEN1LMNASMN1; SMN2
SCHEMBL20565003 0.78 ALDH1A1 (0.40) MAPTKMT2AMEN1LMNASMN1; SMN2
SCHEMBL25440206 0.78 FABP4 (0.46) ALDH1A1EPHX2
SCHEMBL3976134 0.75 F2 (0.44) MAPTKMT2AMEN1LMNASMN1; SMN2
SCHEMBL20565050 0.71 ALDH1A1 (0.34) ALDH1A1ADRA1APDE4D
SCHEMBL13134138 0.69 CA1 (0.44) MAPTKMT2AMEN1LMNASMN1; SMN2
SCHEMBL28872882 0.69 RAPGEF4 (0.47) MAPTKMT2AMEN1LMNASMN1; SMN2
SCHEMBL1936771 0.69 MEN1 (0.43) MAPTKMT2AMEN1LMNASMN1; SMN2
SCHEMBL187717 0.69 MEN1 (0.43) MAPTKMT2AMEN1LMNASMN1; SMN2
SCHEMBL957952 0.69 MEN1 (0.43) MAPTKMT2AMEN1LMNASMN1; SMN2

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-11767291-B2 Preparation of secondary amines with electrophilic N-linchpin reagents WILLIAM MARSH RICE UNIVERSITY (US) 2023-09-26 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-11767291-B2 Preparation of secondary amines with electrophilic N-linchpin reagents PNMT, NCL, NPM1 MAPT 1551/4885KMT2A 127/4885MEN1 296/4885

“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.