SCHEMBL24559262

SCHEMBL24559262

Cn1c(=S)c2c(ncn2CCCC(=O)OC(C)(C)C)n(C)c1=O

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ RXFP1 Q9HBX9 4/20 0.50
▸ MAPK1 P28482 1/20 0.50
▸ ADORA2B P29275 7/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ LMNA P02545 2/20 0.44
▸ TNF P01375 2/20 0.43
▸ MAPT P10636 2/20 0.41
▸ TSHR P16473 1/20 0.41
▸ ESR1 P03372 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ NFKB1 P19838 1/20 0.41
▸ ACHE P22303 1/20 0.41
▸ PDE4A P27815 1/20 0.41
▸ BLM P54132 1/20 0.41
▸ PMP22 Q01453 1/20 0.41

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
SCHEMBL22521931 0.85 TNF (0.60) RXFP1MAPK1ADORA2BSMN1; SMN2LMNA
SCHEMBL24559342 0.84 ADORA2B (0.45) RXFP1MAPK1ADORA2BSMN1; SMN2LMNA
SCHEMBL24559323 0.83 RXFP1 (0.70) RXFP1MAPK1ADORA2BSMN1; SMN2LMNA
SCHEMBL24559134 0.83 RXFP1 (0.56) RXFP1MAPK1ADORA2BSMN1; SMN2LMNA
SCHEMBL22521901 0.82 TNF (0.61) RXFP1MAPK1ADORA2BSMN1; SMN2LMNA
SCHEMBL24559298 0.79 ADORA2B (0.61) RXFP1MAPK1ADORA2BSMN1; SMN2LMNA
SCHEMBL24559132 0.78 TNF (0.59) RXFP1MAPK1ADORA2BSMN1; SMN2LMNA
SCHEMBL24559089 0.76 ADORA2B (0.61) RXFP1MAPK1ADORA2BLMNAMAPT
SCHEMBL24559396 0.76 ADORA2B (0.73) RXFP1MAPK1ADORA2BSMN1; SMN2LMNA
SCHEMBL22521953 0.75 SMN1; SMN2 (0.74) RXFP1MAPK1ADORA2BSMN1; SMN2LMNA

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 RXFP1 2773/4885MAPK1 2790/4885ADORA2B 2231/4885

“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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