SCHEMBL20364685

SCHEMBL20364685

CC(C)S(=O)(=O)c1cc2ccccc2o1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.61
AKR1B1 P15121 2/20 0.47
CCR2 P41597 3/20 0.44
CA9 Q16790 3/20 0.44
CA1 P00915 2/20 0.44
CA12 O43570 2/20 0.44
FLT3 P36888 1/20 0.42
CYP2A6 P11509 1/20 0.42
ALDH1A1 P00352 4/20 0.41
KDM4E B2RXH2 3/20 0.41
CYP1A2 P05177 2/20 0.41
MAOB P27338 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
MAOA P21397 1/20 0.41
TYR P14679 1/20 0.41
DAO P14920 1/20 0.41
HPGD P15428 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
SCHEMBL16985241 0.79 CA2 (0.67) CA2AKR1B1CCR2CA9CA1
SCHEMBL7137894 0.79 CA2 (0.71) CA2AKR1B1CCR2CA9CA1
SCHEMBL16000133 0.78 CA2 (0.56) CA2AKR1B1CCR2MAOBMAOA
SCHEMBL329665 0.77 CA2 (0.69) CA2AKR1B1CCR2CA9CA1
SCHEMBL18184669 0.76 CA2 (0.62) CA2AKR1B1CCR2CA9CA1
SCHEMBL9063028 0.76 CA2 (0.67) CA2AKR1B1CCR2CA9CA1
SCHEMBL31695410 0.76 CA2 (0.67) CA2AKR1B1CCR2CA9CA1
SCHEMBL720789 0.76 CA2 (0.67) CA2AKR1B1CCR2CA9CA1
SCHEMBL1156380 0.76 CA2 (1.00) CA2AKR1B1CA9CA1CA12
SCHEMBL29926951 0.76 CA2 (1.00) CA2AKR1B1CA9CA1CA12

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220411426-A1 SUBSTRATE SELECTIVE INHIBITORS OF INSULIN-DEGRADING ENZYME (IDE) AND USES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2022-12-29 US disclosed
US-11040976-B2 Substrate selective inhibitors of insulin-degrading enzyme (IDE) and uses thereof PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2021-06-22 US disclosed
US-20190016723-A9 SUBSTRATE SELECTIVE INHIBITORS OF INSULIN-DEGRADING ENZYME (IDE) AND USES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2019-01-17 US disclosed
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
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 (4 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 CA2 1480/4885AKR1B1 149/4885CCR2 4430/4885
US-20220411426-A1 SUBSTRATE SELECTIVE INHIBITORS OF INSULIN-DEGRADING ENZYME (IDE) AND USES THEREOF IDE, SI, GPR119 CA2 1532/4885AKR1B1 150/4885CCR2 4481/4885
US-20190016723-A9 SUBSTRATE SELECTIVE INHIBITORS OF INSULIN-DEGRADING ENZYME (IDE) AND USES THEREOF IDE, SI, GPR119 CA2 1582/4885AKR1B1 137/4885CCR2 4517/4885
US-11040976-B2 Substrate selective inhibitors of insulin-degrading enzyme (IDE) and uses thereof IDE, SI, GPR119 CA2 1582/4885AKR1B1 137/4885CCR2 4517/4885

“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.