SCHEMBL20568397

SCHEMBL20568397

O=C(O)c1[nH]c2c(C3CC3)n[nH]c2c1-c1ccc(F)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKAA2 P54646 1/20 0.40
RPA1 P27694 2/20 0.39
CA12 O43570 1/20 0.39
ALPL P05186 1/20 0.39
RXRA P19793 1/20 0.38
PTGS1 P23219 2/20 0.37
PTGS2 P35354 2/20 0.37
MAPK11 Q15759 2/20 0.36
MAPK14 Q16539 2/20 0.36
KCNH2 Q12809 1/20 0.36
HAO2 Q9NYQ3 1/20 0.35
HCAR2 Q8TDS4 1/20 0.35
NR1I2 O75469 1/20 0.34
NR4A2 P43354 1/20 0.34
PDE4D Q08499 1/20 0.34
BCL2L1 Q07817 1/20 0.34
BAD Q92934 1/20 0.34
MCL1 Q07820 1/20 0.34
DHODH Q02127 1/20 0.34
FABP4 P15090 1/20 0.34

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
SCHEMBL20569633 0.83 LMNA (0.44) MAPK14
SCHEMBL20568333 0.81 GPR35 (0.43) CA12ALPLRXRAHCAR2FABP4
SCHEMBL20568514 0.77 PRKAA2 (0.37) PRKAA2RPA1RXRAPTGS1PTGS2
SCHEMBL29568998 0.73 MCL1 (0.50) PRKAA2RPA1RXRAMCL1
SCHEMBL18919773 0.73 MCL1 (0.50) PRKAA2RPA1RXRAMCL1
SCHEMBL20568313 0.72 GPR35 (0.60) PRKAA2RPA1PTGS1PTGS2MAPK11
SCHEMBL20568815 0.72 CSNK1E (0.36) RPA1PTGS1PTGS2MAPK11MAPK14
SCHEMBL3946719 0.68 HCAR2 (0.50) HCAR2
SCHEMBL23327695 0.67 GPR35 (0.52) MAPK11MAPK14MKNK1MKNK2
SCHEMBL1744135 0.67 PRKAA2 (0.67) PRKAA2RXRANR1I2NR4A2PDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210137886-A1 INHIBITORS OF METALLO-BETA-LACTAMASES OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2021-05-13 US claimed
EP-3630777-A1 INHIBITORS OF METALLO-BETA-LACTAMASES Oxford University Innovation Limited (GB) 2020-04-08 EP claimed
WO-2018215800-A1 INHIBITORS OF METALLO-BETA-LACTAMASES OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2018-11-29 WO claimed
US-20210137886-A1 INHIBITORS OF METALLO-BETA-LACTAMASES OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2021-05-13 US disclosed
US-20210137886-A1 INHIBITORS OF METALLO-BETA-LACTAMASES OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2021-05-13 US disclosed
EP-3630777-A1 INHIBITORS OF METALLO-BETA-LACTAMASES Oxford University Innovation Limited (GB) 2020-04-08 EP disclosed
WO-2018215800-A1 INHIBITORS OF METALLO-BETA-LACTAMASES OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2018-11-29 WO 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-20210137886-A1 INHIBITORS OF METALLO-BETA-LACTAMASES MGAM, GAA, LCT PRKAA2 3170/4885RPA1 3996/4885CA12 1458/4885

“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.