SCHEMBL24559308

SCHEMBL24559308

Cn1c(=O)c2c(ncn2Cc2ccc(/C=C3\SC(=S)N(CC(=O)O)C3=O)cc2)n(C)c1=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA2B P29275 2/20 0.53
▸ SMN1; SMN2 Q16637 2/20 0.53
▸ RXFP1 Q9HBX9 1/20 0.53
▸ PTPN12 Q05209 1/20 0.52
▸ PTPN22 Q9Y2R2 1/20 0.52
▸ LMNA P02545 2/20 0.52
▸ MAPK1 P28482 1/20 0.52
▸ AKR1B1 P15121 7/20 0.51
▸ PTPN1 P18031 5/20 0.51
▸ MMP3 P08254 2/20 0.51
▸ MMP13 P45452 2/20 0.51
▸ ABCC8 Q09428 1/20 0.50
▸ KCNJ11 Q14654 1/20 0.50
▸ MEN1 O00255 4/20 0.49
▸ KMT2A Q03164 4/20 0.49
▸ HTT P42858 1/20 0.48
▸ UBE2N P61088 1/20 0.48
▸ POLB P06746 2/20 0.48
▸ MAPT P10636 2/20 0.48
▸ KDM4E B2RXH2 1/20 0.48

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
SCHEMBL24559280 0.93 PTPN12 (0.52) PTPN12PTPN22AKR1B1PTPN1MMP3
SCHEMBL24559334 0.92 MAPT (0.55) ADORA2BSMN1; SMN2RXFP1LMNAMAPK1
SCHEMBL24559333 0.85 MAPT (0.55) LMNAAKR1B1PTPN1MEN1KMT2A
SCHEMBL24559155 0.78 LMNA (0.57) ADORA2BSMN1; SMN2RXFP1LMNAMAPK1
SCHEMBL24559408 0.77 ADORA2B (0.50) ADORA2BSMN1; SMN2RXFP1LMNAMAPK1
SCHEMBL24559158 0.76 LMNA (0.64) ADORA2BSMN1; SMN2RXFP1LMNAMAPK1
SCHEMBL10417661 0.75 PTPN12 (0.73) SMN1; SMN2PTPN12PTPN22LMNAAKR1B1
SCHEMBL10417660 0.75 PTPN12 (0.73) SMN1; SMN2PTPN12PTPN22LMNAAKR1B1
SCHEMBL17750785 0.74 LMNA (0.89) ADORA2BSMN1; SMN2RXFP1LMNAMAPK1
SCHEMBL15330386 0.73 PTPN12 (0.79) PTPN12PTPN22AKR1B1PTPN1MMP3

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-20220202821-A1 SMALL MOLECULE PARG INHIBITORS AND METHODS OF USE THEREOF BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2022-06-30 — — 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-20220202821-A1 SMALL MOLECULE PARG INHIBITORS AND METHODS OF USE THEREOF PARG, PARP15, PLG ADORA2B 2231/4885SMN1; SMN2 4491/4885RXFP1 2773/4885

“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.

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