SCHEMBL304846

SCHEMBL304846

COC(=O)C(Cc1ccc(C(=O)O)cc1)=C(C(=O)OC)C(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
MAPK1 P28482 1/20 0.41
KMT2A Q03164 4/20 0.41
RXRA P19793 3/20 0.40
RXRB P28702 2/20 0.40
NPC1 O15118 1/20 0.40
POLB P06746 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
ACACB O00763 1/20 0.38
NR1H4 Q96RI1 1/20 0.38
TSHR P16473 1/20 0.37
MAPT P10636 1/20 0.37
GRIN2D O15399 1/20 0.37
GRIN2A Q12879 1/20 0.37
GRIN2B Q13224 1/20 0.37
GRIN2C Q14957 1/20 0.37
RARB P10826 1/20 0.37

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
SCHEMBL304844 1.00 ALDH1A1 (0.42) ALDH1A1MAPK1KMT2ARXRARXRB
SCHEMBL304341 0.87 PARP10 (0.41) CA1CA2NR1H4
SCHEMBL304343 0.87 PARP10 (0.41) CA1CA2NR1H4
SCHEMBL800598 0.85 KMT2A (0.44) ALDH1A1MAPK1KMT2ARXRARXRB
SCHEMBL304962 0.85 ESR1 (0.42) POLBCA1CA2
SCHEMBL304960 0.85 ESR1 (0.42) POLBCA1CA2
SCHEMBL304057 0.85 CYP4F2 (0.39) ALDH1A1KMT2APOLBSMN1; SMN2
SCHEMBL304058 0.85 CYP4F2 (0.39) ALDH1A1KMT2APOLBSMN1; SMN2
SCHEMBL305320 0.81 ALDH1A1 (0.41) ALDH1A1KMT2APOLBSMN1; SMN2NR1H4
SCHEMBL305322 0.81 ALDH1A1 (0.41) ALDH1A1KMT2APOLBSMN1; SMN2NR1H4

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 372/4885MAPK1 2838/4885KMT2A 1979/4885
US-20120071457-A1 METALLO-BETA-LACTAMASE INHIBITORS ME1, MGAM, GAA ALDH1A1 372/4885MAPK1 2838/4885KMT2A 1979/4885
US-20160151322-A1 METALLO-B-LACTAMASE INHIBITORS ME1, MGAM, MANBA ALDH1A1 461/4885MAPK1 2855/4885KMT2A 1961/4885

“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.