SCHEMBL304198

SCHEMBL304198

COC(=O)C(Cc1ccc(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1)=C(C(=O)OC)C(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.50
MEN1 O00255 2/20 0.50
ABL1 P00519 1/20 0.44
RIN1 Q13671 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
MAPT P10636 2/20 0.43
LMNA P02545 1/20 0.43
EPHX2 P34913 1/20 0.43
CYP2C19 P33261 1/20 0.42
HDAC4 P56524 1/20 0.42
GPR119 Q8TDV5 4/20 0.42
HTT P42858 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
SETD7 Q8WTS6 1/20 0.41
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPK1 P28482 1/20 0.40
RAB9A P51151 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CNR2 P34972 1/20 0.39

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
SCHEMBL304197 1.00 KMT2A (0.50) KMT2AMEN1ABL1RIN1SMN1; SMN2
SCHEMBL10193637 0.83 HPGD (0.51) KMT2ASMN1; SMN2MAPTLMNAHTT
SCHEMBL304167 0.83 HPGD (0.44) KMT2AMEN1ALDH1A1HRH3
SCHEMBL304165 0.83 HPGD (0.44) KMT2AMEN1ALDH1A1HRH3
Hydrochloric Acid SCHEMBL306261 0.82 HPGD (0.46) KMT2AMEN1ALDH1A1HRH3CFTR
Hydrochloric Acid SCHEMBL306263 0.82 HPGD (0.46) KMT2AMEN1ALDH1A1HRH3CFTR
SCHEMBL304036 0.78 IDO1 (0.40) KMT2AMEN1LMNAHRH3
SCHEMBL304037 0.78 IDO1 (0.40) KMT2AMEN1LMNAHRH3
SCHEMBL8250652 0.77 MEN1 (0.61) KMT2AMEN1ABL1RIN1SMN1; SMN2
SCHEMBL8427895 0.76 KMT2A (0.65) KMT2AMEN1ABL1RIN1SMN1; 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 KMT2A 1979/4885MEN1 332/4885ABL1 1324/4885
US-20120071457-A1 METALLO-BETA-LACTAMASE INHIBITORS ME1, MGAM, GAA KMT2A 1979/4885MEN1 332/4885ABL1 1324/4885
US-20160151322-A1 METALLO-B-LACTAMASE INHIBITORS ME1, MGAM, MANBA KMT2A 1961/4885MEN1 339/4885ABL1 1245/4885

“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.