SCHEMBL20368151

SCHEMBL20368151

CCS(=O)(=O)c1nccn1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.41
LPO P22079 1/20 0.40
KDM4E B2RXH2 1/20 0.39
KMT2A Q03164 3/20 0.39
MAPT P10636 2/20 0.39
LMNA P02545 1/20 0.39
BLM P54132 1/20 0.39
MCL1 Q07820 1/20 0.38
C1S P09871 1/20 0.37
FDPS P14324 2/20 0.35
COMT P21964 1/20 0.34
TSHR P16473 1/20 0.34
ALDH1A1 P00352 2/20 0.33
CHRM5 P08912 1/20 0.33
POLB P06746 1/20 0.33
CHRM4 P08173 1/20 0.33
RGS12 O14924 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 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
SCHEMBL24866147 0.82 KDM4E (0.39) HTTLPOKDM4EKMT2AMCL1
SCHEMBL24810086 0.81 TSHR (0.37) HTTLPOKDM4EMCL1C1S
SCHEMBL9219747 0.80 KDM4E (0.38) HTTLPOKDM4EKMT2AMCL1
Hydrochloric Acid SCHEMBL4002551 0.80 LOXL2 (0.38) HTTLPOKDM4EMCL1C1S
SCHEMBL4070543 0.80 KDM4E (0.35) HTTLPOKDM4EMCL1C1S
SCHEMBL31298381 0.79 HTT (0.38) HTTLPOKDM4EKMT2AMAPT
SCHEMBL569909 0.78 LPO (0.43) HTTLPOKDM4EKMT2AMAPT
SCHEMBL24051974 0.77 MCL1 (0.43) HTTLPOKDM4EKMT2AMAPT
SCHEMBL7290517 0.77 KDM4E (0.39) HTTLPOKDM4EMCL1C1S
SCHEMBL9033147 0.77 LPO (0.41) HTTLPOKDM4EKMT2AMCL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230043863-A1 HETEROAROMATIC DERIVATIVES FOR USE AS REGULATOR, PREPARATION METHOD THEREFOR AND USE THEREOF SHANGHAI HANSOH BIOMEDICAL CO., LTD. (CN) 2023-02-09 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

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 HTT 826/4885LPO 834/4885KDM4E 1920/4885
US-20190016723-A9 SUBSTRATE SELECTIVE INHIBITORS OF INSULIN-DEGRADING ENZYME (IDE) AND USES THEREOF IDE, SI, GPR119 HTT 847/4885LPO 791/4885KDM4E 2236/4885
US-20230043863-A1 HETEROAROMATIC DERIVATIVES FOR USE AS REGULATOR, PREPARATION METHOD THEREFOR AND USE THEREOF WEE2, WEE1, RORB HTT 4043/4885LPO 3744/4885KDM4E 2064/4885
US-11040976-B2 Substrate selective inhibitors of insulin-degrading enzyme (IDE) and uses thereof IDE, SI, GPR119 HTT 847/4885LPO 791/4885KDM4E 2236/4885

“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.