SCHEMBL21783155

SCHEMBL21783155

CCOC(=O)CN1C(=O)S/C(=C\c2cccnc2)C1=O

nearest known ligand 0.73

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.73
PPARG P37231 6/20 0.68
BAG3 O95817 1/20 0.63
ALDH1A1 P00352 6/20 0.62
HTT P42858 2/20 0.62
LMNA P02545 2/20 0.62
SMN1; SMN2 Q16637 4/20 0.61
MEN1 O00255 3/20 0.60
KMT2A Q03164 3/20 0.60
PSMD14 O00487 1/20 0.59
MMP2 P08253 1/20 0.59
RAD52 P43351 1/20 0.59
NPC1 O15118 1/20 0.57
RAB9A P51151 1/20 0.57
POLB P06746 1/20 0.57
PKM P14618 1/20 0.57
ITGB2 P05107 1/20 0.57
ITGAM P11215 1/20 0.57
USP2 O75604 1/20 0.56

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
SCHEMBL28373919 1.00 MAPT (0.73) MAPTPPARGBAG3ALDH1A1HTT
SCHEMBL28374956 0.86 PPARG (0.78) MAPTPPARGBAG3ALDH1A1LMNA
SCHEMBL21783129 0.86 PPARG (0.78) MAPTPPARGBAG3ALDH1A1LMNA
SCHEMBL21783127 0.86 PPARG (0.81) MAPTPPARGBAG3ALDH1A1LMNA
SCHEMBL28374629 0.86 PPARG (0.81) MAPTPPARGBAG3ALDH1A1LMNA
SCHEMBL20535090 0.85 MAPT (1.00) MAPTALDH1A1HTTLMNASMN1; SMN2
SCHEMBL20534440 0.85 MAPT (1.00) MAPTALDH1A1HTTLMNASMN1; SMN2
SCHEMBL21783145 0.81 PPARG (1.00) MAPTPPARGBAG3ALDH1A1HTT
SCHEMBL21783137 0.81 ALDH1A1 (0.69) MAPTPPARGBAG3ALDH1A1LMNA
SCHEMBL28381281 0.81 ALDH1A1 (0.69) MAPTPPARGBAG3ALDH1A1LMNA

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-20200068890-A1 HETEROCYCLIC INHIBITORS OF LYSINE BIOSYNTHESIS VIA THE DIAMINOPIMELATE PATHWAY LA TROBE UNIVERSITY (AU) 2020-03-05 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-20200068890-A1 HETEROCYCLIC INHIBITORS OF LYSINE BIOSYNTHESIS VIA THE DIAMINOPIMELATE PATHWAY DDC, ODC1, DDT MAPT 3729/4885PPARG 3668/4885BAG3 4493/4885

“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.