SCHEMBL4133542

SCHEMBL4133542

CC(C)(C)OC(=O)N1Cc2c(cnn2CCSc2ccccc2)C(O)C1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
THRB P10828 3/20 0.36
TP53 P04637 1/20 0.36
NAMPT P43490 1/20 0.36
RORC P51449 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.35
GAA P10253 1/20 0.35
LMNA P02545 1/20 0.35
KDM4E B2RXH2 2/20 0.35
POLB P06746 2/20 0.35
ALDH1A1 P00352 3/20 0.35
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
GPR119 Q8TDV5 1/20 0.35
USP30 Q70CQ3 3/20 0.35
MAPT P10636 1/20 0.34
PKM P14618 1/20 0.34
IDO1 P14902 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
SCHEMBL4692378 0.86 RAB9A (0.39) THRBSMN1; SMN2KDM4EPOLBALDH1A1
SCHEMBL4146994 0.81 NPC1 (0.36) THRBTP53SMN1; SMN2GAAALDH1A1
SCHEMBL21980490 0.80 PIK3CD (0.33) THRBTP53NAMPTGPR119
SCHEMBL4143177 0.78 POLB (0.52) THRBTP53LMNAPOLBGPR119
SCHEMBL5185542 0.77 NR1H2 (0.37) THRBTP53NAMPTGPR119USP30
SCHEMBL4147632 0.76 GPR119 (0.33) GPR119
SCHEMBL5187339 0.69 P2RX3 (0.42) THRBSMN1; SMN2GAAALDH1A1NPC1
SCHEMBL23257707 0.69 NAMPT (0.54) NAMPTRORCKDM4EGPR119PKM
SCHEMBL29457612 0.69 NAMPT (0.54) NAMPTRORCKDM4EGPR119PKM
SCHEMBL5186460 0.68 P2RX3 (0.38) THRBNAMPTSMN1; SMN2GAALMNA

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-20090018329-A1 NOVEL HETEROCYCLIC COMPOUNDS, THEIR PREPARATION AND THEIR USE AS MEDICAMENTS, IN PARTICULAR AS ANTIBACTERIALS AND BETA-LACTAMASE INHIBITORS NOVEXEL (FR) 2009-01-15 US disclosed
US-7439253-B2 Heterocyclic compounds, their preparation and their use as medicaments, in particular as antibacterials and beta-lactamase inhibitors NOVEXEL (FR) 2008-10-21 US disclosed
US-7288549-B2 Heterocyclic compounds, method for preparing same and use thereof as medicines, in particular as antibacterial agents AVENTIS PHARMA S.A. (FR) 2007-10-30 US disclosed
US-20050245505-A1 Novel heterocyclic compounds, method for preparing same and use thereof as medicines, in particular as antibacterial agents ENTASIS THERAPEUTICS LIMITED (GB) 2005-11-03 US disclosed
US-20040157826-A1 Novel heterocyclic compounds, their preparation and their use as medicaments, in particular as antibacterials and beta-lactamase inhibitors AVENTIS PHARMA S.A. (FR) 2004-08-12 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 (3 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-20040157826-A1 Novel heterocyclic compounds, their preparation and their use as medicaments, in particular as antibacterials and beta-lactamase inhibitors GAA, ALPI, GANAB THRB 3813/4885TP53 4654/4885NAMPT 556/4885
US-20050245505-A1 Novel heterocyclic compounds, method for preparing same and use thereof as medicines, in particular as antibacterial agents FDPS, MRPL21, DHPS THRB 4804/4885TP53 4616/4885NAMPT 229/4885
US-20090018329-A1 NOVEL HETEROCYCLIC COMPOUNDS, THEIR PREPARATION AND THEIR USE AS MEDICAMENTS, IN PARTICULAR AS ANTIBACTERIALS AND BETA-LACTAMASE INHIBITORS GAA, GANAB, ALPI THRB 3595/4885TP53 4700/4885NAMPT 486/4885

“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.