SCHEMBL3116804

SCHEMBL3116804

O=C(O)NCC(CNC(=O)O)N1C(=O)c2ccccc2C1=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.49
GAA P10253 2/20 0.49
POLB P06746 4/20 0.47
TP53 P04637 2/20 0.47
KDM4E B2RXH2 2/20 0.47
GLA P06280 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
HPGD P15428 1/20 0.47
ALOX12 P18054 1/20 0.47
NFKB1 P19838 1/20 0.47
APEX1 P27695 1/20 0.47
MAPK1 P28482 1/20 0.47
HSD17B10 Q99714 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
LMNA P02545 2/20 0.46
CA12 O43570 1/20 0.44
CA9 Q16790 1/20 0.44
HTT P42858 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
SCHEMBL15664318 0.87 SMN1; SMN2 (0.44) ALDH1A1GAATP53KDM4EMAPK1
SCHEMBL15664465 0.85 LMNA (0.47) ALDH1A1GAAKDM4ECYP3A4LMNA
SCHEMBL15664333 0.84 LMNA (0.43) ALDH1A1GAAPOLBTP53KDM4E
SCHEMBL15663559 0.84 ALDH1A1 (0.46) ALDH1A1GAAPOLBKDM4EHSD17B10
SCHEMBL15663563 0.80 NPC1 (0.46) ALDH1A1POLBTP53CYP3A4CYP2D6
SCHEMBL15663920 0.78 SMN1; SMN2 (0.40) ALDH1A1GAAPOLBTP53KDM4E
SCHEMBL20974085 0.77 MALT1 (0.50) MAPK1HTTKMT2A
SCHEMBL15571180 0.77 ALDH1A1 (0.57) ALDH1A1POLBKDM4EMAPK1CA12
SCHEMBL16197755 0.77 ALDH1A1 (0.57) ALDH1A1POLBKDM4EMAPK1CA12
SCHEMBL12942067 0.77 ALDH1A1 (0.56) ALDH1A1GAAPOLBTP53KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3313832-B1 3-TETRAZOLYL-BENZENE-1,2-DISULFONAMIDE DERIVATIVES AS METALLO-BETA-LACTAMASE INHIBITORS MERCK SHARP & DOHME (US) 2021-02-24 EP disclosed
US-10221163-B2 Metallo-beta-lactamase inhibitors MERCK SHARP & DOHME CORP. (US) 2019-03-05 US disclosed
US-20180244656-A1 METALLO-BETA-LACTAMASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2018-08-30 US disclosed
EP-1663245-B1 CEPHEM COMPOUNDS ASTELLAS PHARMA INC (JP) 2010-04-07 EP disclosed
US-7192943-B2 Cephem compounds ASTELLAS PHARMA INC. (JP) 2007-03-20 US disclosed
US-20050096306-A1 Cephem compounds FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2005-05-05 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-20050096306-A1 Cephem compounds CEP170, ASS1, C1S ALDH1A1 1854/4885GAA 3639/4885POLB 3873/4885
US-10221163-B2 Metallo-beta-lactamase inhibitors MLX, ZFX, MMP12 ALDH1A1 259/4885GAA 4/4885POLB 1762/4885
US-20180244656-A1 METALLO-BETA-LACTAMASE INHIBITORS MLX, ZFX, MMP12 ALDH1A1 259/4885GAA 4/4885POLB 1762/4885

“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.