SCHEMBL21783131

SCHEMBL21783131

CCOC(=O)CN1C(=O)S/C(=C\c2ccc3ccccc3c2)C1=O

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BAG3 O95817 1/20 0.72
PPARG P37231 6/20 0.71
ALDH1A1 P00352 3/20 0.67
SMN1; SMN2 Q16637 2/20 0.67
MEN1 O00255 4/20 0.64
KMT2A Q03164 4/20 0.64
USP2 O75604 1/20 0.64
LMNA P02545 1/20 0.64
MAPT P10636 1/20 0.64
HPGD P15428 1/20 0.62
PTPN1 P18031 1/20 0.60
ACP1 P24666 1/20 0.60
ITGB2 P05107 1/20 0.59
ITGAM P11215 1/20 0.59
POLB P06746 1/20 0.59
DUSP3 P51452 1/20 0.59
PTPN5 P54829 1/20 0.59
PTPN11 Q06124 1/20 0.59
CTDSP1 Q9GZU7 1/20 0.59
AKR1B1 P15121 1/20 0.59

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
SCHEMBL21783127 0.86 PPARG (0.81) BAG3PPARGALDH1A1SMN1; SMN2MEN1
SCHEMBL28374629 0.86 PPARG (0.81) BAG3PPARGALDH1A1SMN1; SMN2MEN1
SCHEMBL20534443 0.85 AKR1B1 (0.71) PTPN1ACP1AKR1B1
SCHEMBL20534444 0.85 AKR1B1 (0.71) PTPN1ACP1AKR1B1
SCHEMBL21783145 0.83 PPARG (1.00) BAG3PPARGALDH1A1SMN1; SMN2MEN1
SCHEMBL21783161 0.83 AKR1B1 (0.78) BAG3PPARGALDH1A1SMN1; SMN2MEN1
SCHEMBL21783144 0.83 PPARG (0.77) BAG3PPARGALDH1A1SMN1; SMN2MEN1
SCHEMBL21783184 0.83 PPARG (0.83) BAG3PPARGALDH1A1SMN1; SMN2MEN1
SCHEMBL21783143 0.83 PPARG (1.00) BAG3PPARGALDH1A1SMN1; SMN2MEN1
SCHEMBL22092306 0.83 PPARG (1.00) BAG3PPARGALDH1A1SMN1; SMN2MEN1

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 BAG3 4493/4885PPARG 3668/4885ALDH1A1 461/4885

“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.