SCHEMBL304188

SCHEMBL304188

CC(C(=O)O)=C(CN1CCCCC1)C(=O)O.[Na].[Na]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.44
HTT P42858 1/20 0.44
GAA P10253 2/20 0.44
KDM4E B2RXH2 5/20 0.39
NPC1 O15118 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
CYP1A2 P05177 1/20 0.37
MAPK1 P28482 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
THRB P10828 1/20 0.36
FNTA P49354 1/20 0.36
FNTB P49356 1/20 0.36
PGGT1B P53609 1/20 0.36
MAOB P27338 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
RAD52 P43351 1/20 0.36
USP2 O75604 1/20 0.35

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
SCHEMBL305250 0.98 ALDH1A1 (0.46) ALDH1A1HTTGAAKDM4ENPC1
SCHEMBL305251 0.98 ALDH1A1 (0.46) ALDH1A1HTTGAAKDM4ENPC1
SCHEMBL304186 0.96 ALDH1A1 (0.44) ALDH1A1HTTGAAKDM4ENPC1
SCHEMBL304459 0.80 ALDH1A1 (0.35) ALDH1A1KDM4ESMN1; SMN2KMT2ATHRB
SCHEMBL304624 0.80 ALDH1A1 (0.38) ALDH1A1HTTGAAKDM4ESMN1; SMN2
SCHEMBL10193628 0.78 ALDH1A1 (0.36) ALDH1A1KDM4ESMN1; SMN2THRBFNTA
SCHEMBL304457 0.77 ALDH1A1 (0.35) ALDH1A1KDM4ESMN1; SMN2THRBFNTA
SCHEMBL1908586 0.72 GAA (0.56) ALDH1A1HTTGAANPC1SMN1; SMN2
SCHEMBL12226479 0.72 GAA (0.56) ALDH1A1HTTGAANPC1SMN1; SMN2
SCHEMBL304187 0.72 ALDH1A1 (0.43) ALDH1A1HTTGAANPC1SMN1; SMN2

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
US-20160151322-A1 METALLO-B-LACTAMASE INHIBITORS MEIJI SEIKA KAISHA (JP) 2016-06-02 US disclosed
US-9260375-B2 Metallo-β-lactamase inhibitors MEIJI SEIKA KAISHA, LTD. (JP) 2016-02-16 US disclosed
US-20120071457-A1 METALLO-BETA-LACTAMASE INHIBITORS CHIKAUCHI KEN (JP) 2012-03-22 US disclosed
US-8093294-B2 Bacterial infections; effective for recovering the activities of beta-lactam antibiotics; 2-ethyl-3-methylmaleic acid dimethyl ester; maleic acid derivatives and/or dihydrofuranyl derivatives MEIJI SEIKA KAISHA, LTD. (JP) 2012-01-10 US disclosed
EP-1941873-A1 METALLO-BETA-LACTAMASE INHIBITOR MEIJI SEIKA KAISHA LTD. (JP) 2008-07-09 EP disclosed
US-20080090825-A1 Metallo-beta-lactamase inhibitors MEIJI SEIKA KAISHA, LTD. (JP) 2008-04-17 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-20080090825-A1 Metallo-beta-lactamase inhibitors ME1, MGAM, GAA ALDH1A1 372/4885HTT 4870/4885GAA 3/4885
US-20120071457-A1 METALLO-BETA-LACTAMASE INHIBITORS ME1, MGAM, GAA ALDH1A1 372/4885HTT 4870/4885GAA 3/4885
US-20160151322-A1 METALLO-B-LACTAMASE INHIBITORS ME1, MGAM, MANBA ALDH1A1 461/4885HTT 4875/4885GAA 5/4885

“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.