SCHEMBL800616

SCHEMBL800616

CC(C)/C=C(\Cc1ccc(OCCn2ccnc2)cc1)C(=O)O

nearest known ligand 0.68

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 13/20 0.68
LMNA P02545 2/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
KMT2A Q03164 2/20 0.57
MEN1 O00255 1/20 0.57
LTA4H P09960 1/20 0.55
ACACB O00763 1/20 0.54
KDM4E B2RXH2 1/20 0.53
ALDH1A1 P00352 1/20 0.53

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
SCHEMBL3777816 0.81 TBXAS1 (1.00) TBXAS1LMNAKMT2AMEN1LTA4H
SCHEMBL10193662 0.81 TBXAS1 (0.68) TBXAS1LMNASMN1; SMN2KMT2AMEN1
SCHEMBL304568 0.80 TBXAS1 (0.67) TBXAS1LMNASMN1; SMN2KMT2AMEN1
SCHEMBL304566 0.80 TBXAS1 (0.67) TBXAS1LMNASMN1; SMN2KMT2AMEN1
SCHEMBL3784432 0.78 TBXAS1 (0.78) TBXAS1LMNAKMT2AMEN1LTA4H
SCHEMBL800614 0.77 LTA4H (0.44) LTA4H
SCHEMBL305613 0.76 TBXAS1 (0.67) TBXAS1LMNASMN1; SMN2KMT2AMEN1
SCHEMBL800499 0.75 TBXAS1 (0.62) TBXAS1LMNASMN1; SMN2KMT2AMEN1
SCHEMBL305614 0.75 TBXAS1 (0.62) TBXAS1LMNASMN1; SMN2KMT2AMEN1
SCHEMBL15751202 0.75 TBXAS1 (0.62) TBXAS1LMNASMN1; SMN2KMT2AMEN1

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 TBXAS1 3557/4885LMNA 1246/4885SMN1; SMN2 2666/4885
US-20140221330-A1 NDM INHIBITOR MGAM, NQO1, NQO2 TBXAS1 4297/4885LMNA 1395/4885SMN1; SMN2 2525/4885
US-20160151322-A1 METALLO-B-LACTAMASE INHIBITORS ME1, MGAM, MANBA TBXAS1 3289/4885LMNA 1157/4885SMN1; SMN2 2687/4885

“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.