SCHEMBL24559280

SCHEMBL24559280

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

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PTPN12 Q05209 1/20 0.52
▸ PTPN22 Q9Y2R2 1/20 0.52
▸ AKR1B1 P15121 7/20 0.52
▸ PTPN1 P18031 5/20 0.51
▸ MMP3 P08254 2/20 0.51
▸ MMP13 P45452 2/20 0.51
▸ KMT2A Q03164 5/20 0.49
▸ MEN1 O00255 4/20 0.49
▸ POLB P06746 2/20 0.48
▸ MAPT P10636 2/20 0.48
▸ KDM4E B2RXH2 1/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ HPGD P15428 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
SCHEMBL24559308 0.93 ADORA2B (0.53) PTPN12PTPN22AKR1B1PTPN1MMP3
SCHEMBL24559333 0.92 MAPT (0.55) AKR1B1PTPN1KMT2AMEN1MAPT
SCHEMBL24559334 0.85 MAPT (0.55) AKR1B1PTPN1KMT2AMEN1MAPT
SCHEMBL24559279 0.78 MYC (0.52) —
SCHEMBL24666143 0.77 LMNA (0.58) POLBMAPTALDH1A1
SCHEMBL24559153 0.77 LMNA (0.51) KMT2AMEN1POLBMAPTKDM4E
SCHEMBL10417661 0.75 PTPN12 (0.73) PTPN12PTPN22AKR1B1PTPN1MMP3
SCHEMBL10417660 0.75 PTPN12 (0.73) PTPN12PTPN22AKR1B1PTPN1MMP3
SCHEMBL22521806 0.73 SMN1; SMN2 (0.76) POLBMAPTALDH1A1
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 PTPN12 3642/4885PTPN22 3146/4885AKR1B1 3431/4885

“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.

Send feedback