SCHEMBL20364693

SCHEMBL20364693

CC(C)S(=O)(=O)c1ccc(F)c2ccccc12

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.49
TSHR P16473 1/20 0.49
GAA P10253 1/20 0.45
HTT P42858 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
FABP4 P15090 6/20 0.41
ALOX5AP P20292 1/20 0.39
FEN1 P39748 1/20 0.39
PTGS1 P23219 2/20 0.39
PTGS2 P35354 2/20 0.39
GCGR P47871 1/20 0.37
FABP5 Q01469 2/20 0.36
CHRM2 P08172 2/20 0.35
LDHA P00338 1/20 0.35
HTR1B P28222 1/20 0.35
HTR2B P41595 1/20 0.35
GPR65 Q8IYL9 1/20 0.35
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33

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
SCHEMBL4573139 0.79 ALDH1A1 (0.53) ALDH1A1TSHRGAAHTTNPSR1
SCHEMBL20368310 0.77 FTO (0.47) ALDH1A1GAA
SCHEMBL9963188 0.76 ALOX5AP (0.46) ALDH1A1ALOX5APFEN1
SCHEMBL30784460 0.76 ALOX5AP (0.46) ALDH1A1ALOX5APFEN1
SCHEMBL4880115 0.75 LDHA (0.62) ALDH1A1TSHRGAAHTTNPSR1
SCHEMBL3174180 0.75 ALDH1A1 (0.53) ALDH1A1TSHRGAAHTTNPSR1
SCHEMBL13185751 0.75 ALDH1A1 (0.53) ALDH1A1TSHRGAAHTTNPSR1
SCHEMBL1339739 0.75 ALDH1A1 (0.53) ALDH1A1TSHRGAAHTTNPSR1
SCHEMBL4420395 0.75 LMNA (0.41) ALDH1A1HTTALOX5APFEN1
SCHEMBL15352746 0.74 ALDH1A1 (0.49) ALDH1A1TSHRGAAHTTNPSR1

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-20180194768-A1 SUBSTRATE SELECTIVE INHIBITORS OF INSULIN DEGRADING ENZYME (IDE) AND USES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2018-07-12 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-20180194768-A1 SUBSTRATE SELECTIVE INHIBITORS OF INSULIN DEGRADING ENZYME (IDE) AND USES THEREOF IDE, SI, GPR119 ALDH1A1 1439/4885TSHR 1064/4885GAA 17/4885

“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.