SCHEMBL800089

SCHEMBL800089

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.43
LMNA P02545 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
ADRB2 P07550 1/20 0.42
ADRB1 P08588 1/20 0.42
CNR1 P21554 1/20 0.42
ADRA1D P25100 1/20 0.42
ADRA1A P35348 1/20 0.42
ADRA1B P35368 1/20 0.42
TP53 P04637 1/20 0.42
MAPT P10636 1/20 0.42
KDM4E B2RXH2 1/20 0.42
CYP1A2 P05177 1/20 0.42
GLA P06280 1/20 0.42
CYP3A4 P08684 1/20 0.42
TSHR P16473 1/20 0.42
NFKB1 P19838 1/20 0.42
THPO P40225 1/20 0.42
BLM P54132 1/20 0.42
PMP22 Q01453 1/20 0.42

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
SCHEMBL800784 0.89 ALDH1A1 (0.49) CYP19A1MAPTTSHRSMN1; SMN2
SCHEMBL800614 0.84 LTA4H (0.44) CYP19A1CYP1A2CYP3A4
SCHEMBL800077 0.81 HTT (0.54) TDP1TP53KDM4ECYP3A4SMN1; SMN2
SCHEMBL800506 0.79 NPC1 (0.42) LMNAMAPTKDM4ETSHRSMN1; SMN2
SCHEMBL800076 0.79 PLA2G10 (0.45) TDP1MAPTCYP3A4TSHRBLM
SCHEMBL800118 0.78 CA2 (0.52) LMNACYP3A4BLM
SCHEMBL23582938 0.76 PLA2G4B (0.55) TP53MAPT
SCHEMBL800484 0.76 CYP3A4 (0.58) CYP1A2CYP3A4TSHR
SCHEMBL10193656 0.76 LMNA (0.42) CYP19A1LMNATDP1ADRB2ADRB1
SCHEMBL800588 0.75 ALDH1A1 (0.47) TDP1TP53MAPTKDM4ECYP3A4

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 CYP19A1 1168/4885LMNA 1246/4885TDP1 2860/4885
US-20140221330-A1 NDM INHIBITOR MGAM, NQO1, NQO2 CYP19A1 2015/4885LMNA 1395/4885TDP1 2124/4885
US-20160151322-A1 METALLO-B-LACTAMASE INHIBITORS ME1, MGAM, MANBA CYP19A1 1110/4885LMNA 1157/4885TDP1 3098/4885

“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.