SCHEMBL800588

SCHEMBL800588

CC(C)/C=C(\Cc1ccc(C(=O)O)cc1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
RXRA P19793 2/20 0.44
RXRB P28702 2/20 0.44
KMT2A Q03164 3/20 0.41
GRIK1 P39086 2/20 0.41
GRIA2 P42262 2/20 0.41
GRIA4 P48058 2/20 0.41
GRIK3 Q13003 2/20 0.41
GRIK5 Q16478 2/20 0.41
GRIA1 P42261 1/20 0.41
GRIK2 Q13002 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
POLB P06746 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SRD5A2 P31213 3/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40

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
SCHEMBL800076 0.87 PLA2G10 (0.45) GRIK1GRIA2GRIA4GRIK3GRIK5
SCHEMBL800118 0.86 CA2 (0.52) GRIK1GRIA2GRIA4GRIK3GRIK5
SCHEMBL800484 0.84 CYP3A4 (0.58) ALDH1A1KMT2AGRIK1GRIA2GRIA4
SCHEMBL800077 0.81 HTT (0.54) ALDH1A1KMT2ACYP3A4POLBSMN1; SMN2
SCHEMBL800075 0.79 SPHK2 (0.47) KMT2AGRIK1GRIA2GRIA4GRIK3
SCHEMBL800784 0.77 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2MAPTNR4A1APEX1
SCHEMBL800597 0.77 SIGMAR1 (0.50) ALDH1A1KMT2AMEN1
SCHEMBL800595 0.77 ALDH1A1 (0.54) ALDH1A1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL8075726 0.75 ALDH1A1 (0.46) ALDH1A1KMT2AGRIK1GRIK2CYP3A4
SCHEMBL8075724 0.75 ALDH1A1 (0.46) ALDH1A1KMT2AGRIK1GRIK2CYP3A4

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-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-9115079-B2 NDM inhibitor MEIJI SEIKA PHARMA CO., LTD. (JP) 2015-08-25 US disclosed
US-20140221330-A1 NDM INHIBITOR MEIJI SEIKA PHARMA CO., LTD. (JP) 2014-08-07 US disclosed
US-20120071457-A1 METALLO-BETA-LACTAMASE INHIBITORS CHIKAUCHI KEN (JP) 2012-03-22 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-20120071457-A1 METALLO-BETA-LACTAMASE INHIBITORS ME1, MGAM, GAA ALDH1A1 372/4885RXRA 3984/4885RXRB 3869/4885
US-20140221330-A1 NDM INHIBITOR MGAM, NQO1, NQO2 ALDH1A1 342/4885RXRA 4600/4885RXRB 4303/4885
US-20160151322-A1 METALLO-B-LACTAMASE INHIBITORS ME1, MGAM, MANBA ALDH1A1 461/4885RXRA 4003/4885RXRB 3499/4885

“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.