SCHEMBL23327554

SCHEMBL23327554

O=C(O)c1[nH]c2c(-c3nnn[nH]3)csc2c1-c1ccc(F)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR35 Q9HC97 2/20 0.39
▸ PTGER2 P43116 1/20 0.35
▸ MAPK14 Q16539 3/20 0.33
▸ MAPK13 O15264 1/20 0.33
▸ ALOX5 P09917 1/20 0.33
▸ TGFBR1 P36897 1/20 0.33
▸ MAPK12 P53778 1/20 0.33
▸ MAPK11 Q15759 1/20 0.33
▸ DHODH Q02127 2/20 0.32
▸ RPA1 P27694 2/20 0.32
▸ CA12 O43570 1/20 0.32
▸ ALPL P05186 1/20 0.32
▸ HAO1 Q9UJM8 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ FBP1 P09467 1/20 0.31
▸ GCGR P47871 1/20 0.31
▸ NR4A2 P43354 1/20 0.31
▸ GPR17 Q13304 1/20 0.30
▸ LMNA P02545 2/20 0.30
▸ ALDH1A1 P00352 1/20 0.30

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 0.84 GPR35 (0.46) GPR35PTGER2MAPK14RPA1RAB9A
SCHEMBL20568713 0.83 GPR35 (0.38) GPR35
SCHEMBL20568486 0.76 GPR35 (0.55) GPR35PTGER2MAPK14MAPK13ALOX5
SCHEMBL23327349 0.76 PTGER2 (0.40) GPR35PTGER2MAPK14MAPK13ALOX5
SCHEMBL23327652 0.72 HTR6 (0.38) GPR35PTGER2LMNAALDH1A1HPGD
SCHEMBL20568572 0.72 DAO (0.42) GPR35PTGER2MAPK14MAPK13ALOX5
SCHEMBL20568493 0.72 GPR35 (0.38) GPR35PTGER2MAPK14MAPK13ALOX5
SCHEMBL23327637 0.71 GPR35 (0.37) GPR35PTGER2MAPK14MAPK13ALOX5
SCHEMBL20568313 0.71 GPR35 (0.60) GPR35PTGER2MAPK14MAPK11RPA1
SCHEMBL20568298 0.70 PTGS1 (0.44) GPR35PTGER2MAPK14MAPK13ALOX5

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-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

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 3640/4885MAPK14 4273/4885

“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.

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