SCHEMBL4138455

SCHEMBL4138455

COC(=O)C1NCC(=O)c2ccsc21

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.42
ALDH1A1 P00352 6/20 0.34
MAPT P10636 5/20 0.34
POLB P06746 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
KDM4E B2RXH2 3/20 0.31
CYP1A2 P05177 1/20 0.31
GAA P10253 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
HPGD P15428 1/20 0.31
ALOX15 P16050 1/20 0.31
CYP2C19 P33261 1/20 0.31
HSD17B10 Q99714 1/20 0.31
MEN1 O00255 1/20 0.30
MAPKAPK2 P49137 1/20 0.30
LMNA P02545 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
ITGA4 P13612 1/20 0.30

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
SCHEMBL4696355 0.82 AGTR2 (0.32) NPSR1
SCHEMBL5185381 0.74 KMT2A (0.32) KMT2AALDH1A1MAPTKDM4ECYP1A2
SCHEMBL5187013 0.74 ALDH1A1 (0.37) KMT2AALDH1A1MAPTPOLBNPSR1
Hydrochloric Acid SCHEMBL9789705 0.71 KMT2A (0.42) KMT2AALDH1A1MAPTNPSR1MEN1
SCHEMBL4652403 0.69 KMT2A (0.39) KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL9834873 0.67 KMT2A (0.64) KMT2AALDH1A1MAPTKDM4E
SCHEMBL4864502 0.66 GID4 (0.48) KMT2APOLBNPSR1MAPKAPK2LMNA
Hydrochloric Acid SCHEMBL9789702 0.65 GID4 (0.47) KMT2APOLBNPSR1MAPKAPK2LMNA
SCHEMBL23480476 0.64 KMT2A (0.49) KMT2AALDH1A1MAPTKDM4ECYP1A2
SCHEMBL7979855 0.63 KMT2A (0.48) KMT2AALDH1A1MAPTKDM4ECYP1A2

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 KMT2A 2499/4885ALDH1A1 305/4885MAPT 4181/4885
US-20050245505-A1 Novel heterocyclic compounds, method for preparing same and use thereof as medicines, in particular as antibacterial agents FDPS, MRPL21, DHPS KMT2A 3643/4885ALDH1A1 1565/4885MAPT 4459/4885
US-20090018329-A1 NOVEL HETEROCYCLIC COMPOUNDS, THEIR PREPARATION AND THEIR USE AS MEDICAMENTS, IN PARTICULAR AS ANTIBACTERIALS AND BETA-LACTAMASE INHIBITORS GAA, GANAB, ALPI KMT2A 2492/4885ALDH1A1 433/4885MAPT 4098/4885

“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.