SCHEMBL20202844

SCHEMBL20202844

Cc1c(/C=C(\C#N)C(=O)N(C)[C@@H](CSC(c2ccccc2)(c2ccccc2)c2ccccc2)C(N)=O)c(=O)oc2c3c4c(cc12)CCCN4CCC3

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MCL1 Q07820 1/20 0.43
▸ SLC16A3 O15427 1/20 0.34
▸ MEN1 O00255 4/20 0.34
▸ KMT2A Q03164 4/20 0.34
▸ USP2 O75604 4/20 0.34
▸ ALDH1A1 P00352 3/20 0.34
▸ CASP1 P29466 3/20 0.34
▸ CASP7 P55210 3/20 0.34
▸ LMNA P02545 2/20 0.34
▸ GAA P10253 2/20 0.34
▸ ATM Q13315 2/20 0.34
▸ HSD17B10 Q99714 2/20 0.34
▸ L3MBTL1 Q9Y468 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ GLA P06280 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ POLB P06746 1/20 0.34
▸ RECQL P46063 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 0.88 MCL1 (0.41) MCL1SLC16A3MEN1KMT2AUSP2
SCHEMBL20209457 0.80 MCL1 (0.41) MCL1SLC16A3MEN1KMT2AUSP2
SCHEMBL20209571 0.75 MCL1 (0.36) MCL1MEN1KMT2AUSP2ALDH1A1
SCHEMBL20209458 0.74 MCL1 (0.36) MCL1MEN1KMT2AUSP2ALDH1A1
SCHEMBL29438161 0.67 SLC16A3 (0.42) MCL1SLC16A3MEN1KMT2AUSP2
SCHEMBL2561903 0.66 ALDH1A1 (0.55) MCL1SLC16A3MEN1KMT2AUSP2
SCHEMBL14458535 0.66 ALDH1A1 (0.54) MCL1SLC16A3MEN1KMT2AUSP2
SCHEMBL29906670 0.65 SLC16A3 (0.55) MCL1SLC16A3MEN1KMT2AUSP2
SCHEMBL26936294 0.65 SLC16A3 (0.55) MCL1SLC16A3MEN1KMT2AUSP2
SCHEMBL17914323 0.64 ALDH1A1 (0.62) MCL1SLC16A3MEN1KMT2AUSP2

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-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 (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-20180147250-A1 SYNTHETIC SUBSTRATES FOR ENZYMES THAT CATALYZE REACTIONS OF MODIFIED CYSTEINES AND RELATED METHODS DNPEP, PTMS, CTH MCL1 1376/4885SLC16A3 850/4885MEN1 1884/4885

“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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