SCHEMBL800605

SCHEMBL800605

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.43
LMNA P02545 2/20 0.43
ADRB2 P07550 2/20 0.43
ADRB1 P08588 2/20 0.43
CNR1 P21554 1/20 0.43
ADRA1D P25100 1/20 0.43
ADRA1A P35348 1/20 0.43
ADRA1B P35368 1/20 0.43
KDM4E B2RXH2 1/20 0.43
CYP1A2 P05177 1/20 0.43
GLA P06280 1/20 0.43
CYP3A4 P08684 1/20 0.43
TSHR P16473 1/20 0.43
NFKB1 P19838 1/20 0.43
THPO P40225 1/20 0.43
BLM P54132 1/20 0.43
PMP22 Q01453 1/20 0.43
POLB P06746 1/20 0.41
ADRB3 P13945 1/20 0.40
MAPT P10636 2/20 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
SCHEMBL800603 0.88 PTGS2 (0.43) TDP1LMNAADRB2ADRB1GLA
SCHEMBL304235 0.87 TDP1 (0.43) TDP1LMNAADRB2ADRB1CNR1
SCHEMBL304237 0.87 TDP1 (0.43) TDP1LMNAADRB2ADRB1CNR1
SCHEMBL10193655 0.85 TDP1 (0.40) TDP1LMNAADRB2ADRB1CNR1
SCHEMBL800095 0.85 POLB (0.41) TDP1LMNAADRB2ADRB1CNR1
SCHEMBL800594 0.81 PARP10 (0.41) POLB
SCHEMBL800092 0.81 MTNR1A (0.43) TDP1LMNAADRB2ADRB1CNR1
SCHEMBL800606 0.79 ESR1 (0.42) LMNAKDM4EPOLB
SCHEMBL9517796 0.79 POLB (0.54) TDP1LMNAADRB2ADRB1CNR1
SCHEMBL800602 0.78 SPHK2 (0.43) TDP1KDM4EMAPT

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 TDP1 2860/4885LMNA 1246/4885ADRB2 2528/4885
US-20160151322-A1 METALLO-B-LACTAMASE INHIBITORS ME1, MGAM, MANBA TDP1 3098/4885LMNA 1157/4885ADRB2 2731/4885

“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.