SCHEMBL800080

SCHEMBL800080

COC(=O)/C(Cc1ccc(C(=O)N2CCC(OC(C)=O)CC2)cc1)=C(\C)C(C)C

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.40
TDO2 P48775 1/20 0.40
KMT2A Q03164 5/20 0.40
MEN1 O00255 2/20 0.40
TSHR P16473 1/20 0.39
HRH3 Q9Y5N1 2/20 0.38
LMNA P02545 1/20 0.38
ADRB2 P07550 3/20 0.37
POLB P06746 2/20 0.37
GAA P10253 1/20 0.37
PRMT5 O14744 1/20 0.37
CHRM2 P08172 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
SCHEMBL304036 0.91 IDO1 (0.40) IDO1TDO2KMT2AMEN1TSHR
SCHEMBL304037 0.91 IDO1 (0.40) IDO1TDO2KMT2AMEN1TSHR
SCHEMBL800073 0.83 HPGD (0.44) KMT2AMEN1HRH3
SCHEMBL800777 0.83 HPGD (0.51) KMT2AHRH3LMNAGAA
SCHEMBL800598 0.74 KMT2A (0.44) KMT2ATSHRPOLB
SCHEMBL800594 0.73 PARP10 (0.41) POLB
SCHEMBL10193637 0.72 HPGD (0.51) KMT2AHRH3LMNAGAA
SCHEMBL304167 0.72 HPGD (0.44) KMT2AMEN1HRH3
SCHEMBL304165 0.72 HPGD (0.44) KMT2AMEN1HRH3
SCHEMBL305207 0.72 L3MBTL3 (0.49) KMT2AMEN1TSHRLMNAPOLB

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 3 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 IDO1 2045/4885TDO2 1214/4885KMT2A 1979/4885
US-20160151322-A1 METALLO-B-LACTAMASE INHIBITORS ME1, MGAM, MANBA IDO1 2220/4885TDO2 1176/4885KMT2A 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.