SCHEMBL20568486

SCHEMBL20568486

O=C(O)c1[nH]c2c(Br)csc2c1-c1ccc(F)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 5/20 0.55
PTGER2 P43116 1/20 0.40
BCL2L1 Q07817 1/20 0.37
BAD Q92934 1/20 0.37
RPA1 P27694 1/20 0.36
MCL1 Q07820 1/20 0.36
GPR17 Q13304 3/20 0.35
FBP1 P09467 3/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
PTGS1 P23219 1/20 0.34
PTGS2 P35354 1/20 0.34
MAPK13 O15264 1/20 0.34
ALOX5 P09917 1/20 0.34
TGFBR1 P36897 1/20 0.34
MAPK12 P53778 1/20 0.34
MAPK11 Q15759 1/20 0.34
MAPK14 Q16539 1/20 0.34
DHODH Q02127 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
SCHEMBL20569634 0.86 GPR35 (0.46) GPR35PTGER2BCL2L1BADRPA1
SCHEMBL23327349 0.86 PTGER2 (0.40) GPR35PTGER2BCL2L1BADRPA1
SCHEMBL20568377 0.84 GPR35 (0.44) GPR35KDM4EALDH1A1HPGDPTGS1
SCHEMBL20568306 0.83 GPR35 (0.51) GPR35PTGS2
SCHEMBL20568493 0.82 GPR35 (0.38) GPR35PTGER2BCL2L1BADRPA1
SCHEMBL20568572 0.82 DAO (0.42) GPR35PTGER2BCL2L1BADRPA1
SCHEMBL20568313 0.81 GPR35 (0.60) GPR35PTGER2BCL2L1BADRPA1
SCHEMBL23327637 0.81 GPR35 (0.37) GPR35PTGER2BCL2L1BADRPA1
SCHEMBL20569630 0.79 GPR35 (0.56) GPR35RPA1MCL1FBP1
SCHEMBL23327695 0.77 GPR35 (0.52) GPR35PTGER2MAPK13MAPK12MAPK11

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-20210137886-A1 INHIBITORS OF METALLO-BETA-LACTAMASES OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2021-05-13 US 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 GPR35 4727/4885PTGER2 3640/4885BCL2L1 1760/4885

“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.