SCHEMBL4652403

SCHEMBL4652403

COC(=O)C1c2sccc2C(=O)CN1C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.39
HTR2C P28335 4/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
HHAT Q5VTY9 1/20 0.32
MMP2 P08253 2/20 0.32
ANPEP P15144 1/20 0.32
ALDH1A1 P00352 2/20 0.31
MAPT P10636 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
SCHEMBL4696279 0.85 AGTR2 (0.35)
SCHEMBL5185468 0.76 TACR1 (0.39) KMT2AMMP2ANPEPALDH1A1
SCHEMBL5185521 0.74 HHAT (0.36) KMT2AHHATMMP2
SCHEMBL5186929 0.74 BUB1 (0.32) KMT2AMMP2ANPEPALDH1A1MAPT
SCHEMBL5186998 0.70 PLK1 (0.33) ALDH1A1
SCHEMBL4138455 0.69 KMT2A (0.42) KMT2ASMN1; SMN2ALDH1A1MAPT
SCHEMBL9834873 0.67 KMT2A (0.64) KMT2AHTR2CALDH1A1MAPT
SCHEMBL5187106 0.64 KMT2A (0.35) KMT2AHHAT
SCHEMBL5187101 0.64 KMT2A (0.35) KMT2AHHAT
SCHEMBL1425950 0.64 HTR2C (0.38) KMT2AHTR2CSMN1; SMN2ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20040157826-A1 Novel heterocyclic compounds, their preparation and their use as medicaments, in particular as antibacterials and beta-lactamase inhibitors GAA, ALPI, GANAB KMT2A 2499/4885HTR2C 4105/4885SMN1; SMN2 4403/4885
US-20050245505-A1 Novel heterocyclic compounds, method for preparing same and use thereof as medicines, in particular as antibacterial agents FDPS, MRPL21, DHPS KMT2A 3643/4885HTR2C 4763/4885SMN1; SMN2 4184/4885

“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.