SCHEMBL803222

SCHEMBL803222

COC(=O)c1ccc2c(c1)[C@H](NC(=O)CC(C)C)CCC2

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.54
L3MBTL1 Q9Y468 2/20 0.48
TAOK3 Q9H2K8 5/20 0.48
ALDH1A1 P00352 5/20 0.46
DHODH Q02127 1/20 0.45
TAOK1 Q7L7X3 4/20 0.45
USP2 O75604 1/20 0.45
PLA2G1B P04054 1/20 0.45
ATG4B Q9Y4P1 1/20 0.45
HTT P42858 1/20 0.44
LMNA P02545 1/20 0.44
HPGD P15428 1/20 0.44
POLB P06746 1/20 0.44
MAPT P10636 1/20 0.44
TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL2820245 0.93 KMT2A (0.47) KMT2AL3MBTL1TAOK3ALDH1A1DHODH
SCHEMBL803556 0.93 KMT2A (0.47) KMT2AL3MBTL1TAOK3ALDH1A1DHODH
SCHEMBL788668 0.88 TAOK3 (0.47) L3MBTL1TAOK3ALDH1A1DHODHTAOK1
SCHEMBL785295 0.88 TAOK3 (0.47) L3MBTL1TAOK3ALDH1A1DHODHTAOK1
SCHEMBL803234 0.84 KMT2A (0.45) KMT2AL3MBTL1TAOK3ALDH1A1DHODH
SCHEMBL803498 0.84 KMT2A (0.47) KMT2AL3MBTL1TAOK3TAOK1HPGD
SCHEMBL784523 0.81 PDE4A (0.42) KMT2ATAOK3ALDH1A1TAOK1HTT
SCHEMBL785600 0.81 PDE4A (0.42) KMT2ATAOK3ALDH1A1TAOK1HTT
SCHEMBL13918277 0.79 ALDH1A1 (0.69) L3MBTL1ALDH1A1USP2PLA2G1BATG4B
SCHEMBL803516 0.78 NAMPT (0.52) KMT2ATAOK3ALDH1A1DHODHLMNA

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-8680159-B2 Bradykinin 1 receptor modulating compounds GRUENENTHAL GMBH (DE) 2014-03-25 US disclosed
US-8680159-B2 Bradykinin 1 receptor modulating compounds GRUENENTHAL GMBH (DE) 2014-03-25 US disclosed
WO-2012038081-A1 SUBSTITUTED BENZAMIDE COMPOUNDS Grünenthal GmbH (DE) 2012-03-29 WO disclosed
US-20120071461-A1 Substituted Benzamide Compounds GRUENENTHAL GMBH (DE) 2012-03-22 US disclosed
US-20120071461-A1 Substituted Benzamide Compounds GRUENENTHAL GMBH (DE) 2012-03-22 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-20120071461-A1 Substituted Benzamide Compounds BDKRB1, BDKRB2, HRH2 KMT2A 2222/4885L3MBTL1 1325/4885TAOK3 2233/4885

“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.