Sugi Predict

Sugi Predict / Compounds / SCHEMBL4155668

SCHEMBL4155668

SCHEMBL4155668

CCOC(=O)C(NCC(=O)OC(C)(C)C)c1cscc1Br

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.33
▸ HTT P42858 2/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.31
▸ SMN1; SMN2 Q16637 2/20 0.31
▸ PTPRC P08575 2/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ ABCB1 P08183 1/20 0.31
▸ CALCA P06881 1/20 0.31
▸ MTNR1A P48039 1/20 0.30
▸ MTNR1B P49286 1/20 0.30
▸ ADORA3 P0DMS8 1/20 0.30
▸ GAA P10253 2/20 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
SCHEMBL4695109 0.86 PTPRC (0.33) MAPTHTTPTPRCMEN1NPC1
SCHEMBL4138810 0.78 MAPT (0.37) MAPTALDH1A1KDM4ESMN1; SMN2PTPRC
SCHEMBL7438489 0.73 SMN1; SMN2 (0.43) MAPTKDM4EHTTCYP1A2CYP2C9
SCHEMBL7442758 0.72 SMN1; SMN2 (0.40) MAPTALDH1A1NPSR1SMN1; SMN2KMT2A
SCHEMBL7445535 0.72 ALOX15 (0.42) MAPTALDH1A1NPSR1SMN1; SMN2KMT2A
SCHEMBL20604149 0.68 ALDH1A1 (0.35) MAPTALDH1A1KDM4EHTTNPSR1
SCHEMBL22769358 0.66 CYP1A2 (0.39) MAPTALDH1A1KDM4EHTTCYP1A2
SCHEMBL2923489 0.66 ALDH1A1 (0.47) MAPTALDH1A1KDM4EHTTCYP1A2
SCHEMBL4155671 0.66 SMN1; SMN2 (0.39) ALDH1A1HTTSMN1; SMN2MEN1KMT2A
SCHEMBL15493551 0.65 CYP1A2 (0.41) MAPTALDH1A1KDM4EHTTCYP1A2

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 3 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-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 MAPT 4181/4885ALDH1A1 305/4885KDM4E 2988/4885
US-20090018329-A1 NOVEL HETEROCYCLIC COMPOUNDS, THEIR PREPARATION AND THEIR USE AS MEDICAMENTS, IN PARTICULAR AS ANTIBACTERIALS AND BETA-LACTAMASE INHIBITORS GAA, GANAB, ALPI MAPT 4098/4885ALDH1A1 433/4885KDM4E 2845/4885

“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.