SCHEMBL23599861

SCHEMBL23599861

CC(S)c1ccc(N2C(=O)C=CC2=O)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 15/20 0.71
FAAH O00519 5/20 0.60
HSP90AA1 P07900 4/20 0.50
PKM P14618 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
MAPK1 P28482 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
ALDH1A1 P00352 2/20 0.46
LMNA P02545 2/20 0.46
CCR6 P51684 2/20 0.46
MEN1 O00255 1/20 0.46
HPGD P15428 1/20 0.46
HTT P42858 1/20 0.46
KMT2A Q03164 1/20 0.46
ATM Q13315 1/20 0.46
DDAH1 O94760 1/20 0.46
BCHE P06276 1/20 0.45
CACNA1B Q00975 1/20 0.44
APBA1 Q02410 1/20 0.44
APOBEC3G Q9HC16 1/20 0.44

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
SCHEMBL2363989 0.83 MGLL (0.77) MGLLFAAHHSP90AA1PKMTDP1
SCHEMBL3482327 0.83 MGLL (1.00) MGLLFAAHHSP90AA1PKMTDP1
SCHEMBL27558830 0.80 MGLL (0.71) MGLLFAAHHSP90AA1PKMTDP1
SCHEMBL19156143 0.80 MGLL (0.71) MGLLFAAHHSP90AA1PKMTDP1
SCHEMBL1255913 0.79 MGLL (0.71) MGLLFAAHHSP90AA1PKMTDP1
SCHEMBL22862128 0.79 MGLL (0.71) MGLLFAAHHSP90AA1PKMTDP1
SCHEMBL8564255 0.79 MGLL (0.71) MGLLFAAHHSP90AA1PKMTDP1
SCHEMBL22862058 0.78 MGLL (0.89) MGLLFAAHHSP90AA1PKMTDP1
SCHEMBL95324 0.78 MGLL (1.00) MGLLFAAHHSP90AA1PKMTDP1
SCHEMBL29417800 0.77 MGLL (0.67) MGLLFAAHHSP90AA1PKMTDP1

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-20210196842-A1 SITE-SPECIFIC RADIOFLUORINATION OF PEPTIDES WITH 8-[18F]-FLUOROOCTANOIC ACID CATALYZED BY LIPOIC ACID LIGASE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-07-01 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-20210196842-A1 SITE-SPECIFIC RADIOFLUORINATION OF PEPTIDES WITH 8-[18F]-FLUOROOCTANOIC ACID CATALYZED BY LIPOIC ACID LIGASE DLAT, FABP7, ACSL1 MGLL 89/4885FAAH 271/4885HSP90AA1 3362/4885

“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.