SCHEMBL10193643

SCHEMBL10193643

COC(=O)/C(Cc1ccc(C(=O)NCC(N)=O)cc1)=C(\OC(C)=O)C(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPHK2 Q9NRA0 1/20 0.40
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
RAB9A P51151 4/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
NPC1 O15118 2/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGDS O60760 1/20 0.34
ITGB3 P05106 1/20 0.34
ITGA2B P08514 1/20 0.34
KMT2A Q03164 6/20 0.34
MEN1 O00255 4/20 0.34
GAA P10253 1/20 0.33
CACNA1B Q00975 1/20 0.33
APBA1 Q02410 1/20 0.33
MAPT P10636 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
EPHX2 P34913 1/20 0.33

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
SCHEMBL800602 0.86 SPHK2 (0.43) SPHK2CA12CA1CA2CA9
SCHEMBL305801 0.84 SPHK2 (0.43) SPHK2CA12CA1CA2CA9
SCHEMBL305803 0.84 SPHK2 (0.43) SPHK2CA12CA1CA2CA9
SCHEMBL10193634 0.82 KMT2A (0.40) CA1CA2RAB9ASMN1; SMN2NPC1
SCHEMBL14198592 0.82 SPHK2 (0.44) SPHK2CA12CA1CA2CA9
SCHEMBL10193655 0.80 TDP1 (0.40) MAPTTDP1
SCHEMBL10193657 0.75 ITGB3 (0.38) SMN1; SMN2ITGB3ITGA2B
SCHEMBL10193668 0.74 MTNR1A (0.40) CA12CA1CA2CA9RAB9A
SCHEMBL305641 0.74 SPHK2 (0.44) SPHK2CA12CA1CA2CA9
SCHEMBL305643 0.74 SPHK2 (0.44) SPHK2CA12CA1CA2CA9

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 (1 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 SPHK2 4838/4885CA12 909/4885CA1 727/4885

“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.