SCHEMBL16740447

SCHEMBL16740447

CCOC(=O)c1c[nH]cc1C1CN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
LMNA P02545 1/20 0.44
GAA P10253 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
KDM4E B2RXH2 4/20 0.42
TP53 P04637 2/20 0.42
POLB P06746 1/20 0.42
HPGD P15428 3/20 0.41
GPR119 Q8TDV5 1/20 0.40
NR1H2 P55055 1/20 0.39
ADORA1 P30542 1/20 0.39
GLA P06280 2/20 0.38
RECQL P46063 1/20 0.38
HSD17B10 Q99714 1/20 0.38
ATM Q13315 1/20 0.37
MAPT P10636 1/20 0.37
THRB P10828 1/20 0.37

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
SCHEMBL16740488 0.84 ALDH1A1 (0.43) ALDH1A1MEN1KMT2ALMNAGAA
SCHEMBL18173280 0.82 ALDH1A1 (0.46) ALDH1A1MEN1KMT2ALMNAGAA
SCHEMBL15885825 0.79 HPGD (0.48) ALDH1A1MEN1KMT2ALMNAGAA
SCHEMBL27152815 0.79 KDM4E (0.43) ALDH1A1MEN1KMT2ALMNAGAA
SCHEMBL1126884 0.77 KMT2A (0.44) ALDH1A1MEN1KMT2ALMNAGAA
SCHEMBL16740459 0.77 KMT2A (0.46) ALDH1A1MEN1KMT2ALMNAGAA
SCHEMBL27063134 0.76 TP53 (0.45) ALDH1A1MEN1KMT2ALMNAGAA
SCHEMBL27145901 0.75 KDM4E (0.43) ALDH1A1MEN1KMT2ALMNAGAA
SCHEMBL15952633 0.75 ATM (0.47) ALDH1A1MEN1KMT2ALMNAGAA
SCHEMBL12990968 0.74 LMNA (0.50) ALDH1A1MEN1KMT2ALMNAGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230167098-A1 HETEROCYCLIC COMPOUND MEDSHINE DISCOVERY INC. (CN) 2023-06-01 US disclosed
US-20230167098-A1 HETEROCYCLIC COMPOUND MEDSHINE DISCOVERY INC. (CN) 2023-06-01 US disclosed
US-9550796-B2 Pyrrolopyrrolone derivatives and their use as BET inhibitors NOVARTIS AG (CH) 2017-01-24 US disclosed
US-20160280719-A1 PYRROLOPYRROLONE DERIVATIVES AND THEIR USE AS BET INHIBITORS NOVARTIS AG (CH) 2016-09-29 US disclosed
EP-3071571-A1 PYRROLOPYRROLONE DERIVATIVES AND THEIR USE AS BET INHIBITORS Novartis AG (CH) 2016-09-28 EP disclosed
WO-2015075665-A1 PYRROLOPYRROLONE DERIVATIVES AND THEIR USE AS BET INHIBITORS NOVARTIS AG (CH) 2015-05-28 WO 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-20160280719-A1 PYRROLOPYRROLONE DERIVATIVES AND THEIR USE AS BET INHIBITORS BET1, PHKB, TMPO ALDH1A1 2915/4885MEN1 2685/4885KMT2A 2712/4885
US-20230167098-A1 HETEROCYCLIC COMPOUND CYP11B2, CYP4F11, CYP11B1 ALDH1A1 465/4885MEN1 511/4885KMT2A 4628/4885

“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.