SCHEMBL20209457

SCHEMBL20209457

CNC(=O)[C@H](CSC(C)=O)N(C)C(=O)/C(C#N)=C/c1c(C)c2cc3c4c(c2oc1=O)CCCN4CCC3

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MCL1 Q07820 1/20 0.41
▸ MEN1 O00255 3/20 0.36
▸ KMT2A Q03164 3/20 0.36
▸ USP2 O75604 3/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ CASP1 P29466 2/20 0.36
▸ CASP7 P55210 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ GLA P06280 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ ATM Q13315 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ SLC16A3 O15427 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ RECQL P46063 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL20209719 0.92 MCL1 (0.41) MCL1MEN1KMT2AUSP2ALDH1A1
SCHEMBL20209458 0.87 MCL1 (0.36) MCL1MEN1KMT2AUSP2ALDH1A1
SCHEMBL20209571 0.87 MCL1 (0.36) MCL1MEN1KMT2AUSP2ALDH1A1
SCHEMBL20202844 0.80 MCL1 (0.43) MCL1MEN1KMT2AUSP2ALDH1A1
SCHEMBL20209785 0.75 — —
SCHEMBL2561903 0.68 ALDH1A1 (0.55) MCL1MEN1KMT2AUSP2ALDH1A1
SCHEMBL29438161 0.67 SLC16A3 (0.42) MCL1MEN1KMT2AUSP2ALDH1A1
SCHEMBL14458535 0.67 ALDH1A1 (0.54) MCL1MEN1KMT2AUSP2ALDH1A1
SCHEMBL29906670 0.66 SLC16A3 (0.55) MCL1MEN1KMT2AUSP2ALDH1A1
SCHEMBL26936294 0.66 SLC16A3 (0.55) MCL1MEN1KMT2AUSP2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10413583-B2 Synthetic substrates for enzymes that catalyze reactions of modified cysteines and related methods THE UNIVERSITY OF CHICAGO (US) 2019-09-17 — — US disclosed
US-20180147250-A1 SYNTHETIC SUBSTRATES FOR ENZYMES THAT CATALYZE REACTIONS OF MODIFIED CYSTEINES AND RELATED METHODS THE UNIVERSITY OF CHICAGO 2018-05-31 — — 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 (2 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-10413583-B2 Synthetic substrates for enzymes that catalyze reactions of modified cysteines and related methods DNPEP, PTMS, CTH MCL1 1376/4885MEN1 1884/4885KMT2A 3156/4885
US-20180147250-A1 SYNTHETIC SUBSTRATES FOR ENZYMES THAT CATALYZE REACTIONS OF MODIFIED CYSTEINES AND RELATED METHODS DNPEP, PTMS, CTH MCL1 1376/4885MEN1 1884/4885KMT2A 3156/4885

“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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