SCHEMBL20568313

SCHEMBL20568313

O=C(O)c1[nH]c2c(C3CC3)csc2c1-c1ccc(F)cc1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 5/20 0.60
PTGER2 P43116 1/20 0.36
PTGS1 P23219 2/20 0.35
PTGS2 P35354 2/20 0.35
IKBKB O14920 1/20 0.33
PTGDR Q13258 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
ESR1 P03372 1/20 0.33
RPA1 P27694 1/20 0.33
MCL1 Q07820 1/20 0.33
LMNA P02545 1/20 0.33
BCL2L1 Q07817 1/20 0.33
BAD Q92934 1/20 0.33
FBP1 P09467 2/20 0.32
PRKAA2 P54646 1/20 0.32
KCNH2 Q12809 1/20 0.31
MAPK11 Q15759 1/20 0.31
MAPK14 Q16539 1/20 0.31

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
SCHEMBL23327695 0.93 GPR35 (0.52) GPR35PTGER2IKBKBMAPK11MAPK14
SCHEMBL20568848 0.86 GPR35 (0.49) GPR35PTGS1IKBKBKCNH2MAPK11
SCHEMBL23327571 0.81 GPR35 (0.61) GPR35
SCHEMBL20569634 0.81 GPR35 (0.46) GPR35PTGER2PTGS1PTGS2RPA1
SCHEMBL23327349 0.81 PTGER2 (0.40) GPR35PTGER2RPA1MCL1BCL2L1
SCHEMBL20568486 0.81 GPR35 (0.55) GPR35PTGER2PTGS1PTGS2RPA1
SCHEMBL18919773 0.77 MCL1 (0.50) GPR35RPA1MCL1FBP1PRKAA2
SCHEMBL20568572 0.77 DAO (0.42) GPR35PTGER2ESR1RPA1MCL1
SCHEMBL20568493 0.77 GPR35 (0.38) GPR35PTGER2RPA1MCL1BCL2L1
SCHEMBL29568998 0.77 MCL1 (0.50) GPR35RPA1MCL1FBP1PRKAA2

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 3640/4885PTGS1 1295/4885

“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.