Sugi Predict

Sugi Predict / Compounds / SCHEMBL23112876

SCHEMBL23112876

SCHEMBL23112876

O=C(OCc1ccccc1)c1[nH]ccc1Br

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 4/20 0.53
▸ KMT2A Q03164 3/20 0.53
▸ SLC6A2 P23975 1/20 0.53
▸ SLC6A3 Q01959 1/20 0.53
▸ TSHR P16473 1/20 0.51
▸ MMP2 P08253 2/20 0.49
▸ MMP9 P14780 2/20 0.49
▸ MMP12 P39900 2/20 0.49
▸ ALDH1A1 P00352 5/20 0.49
▸ LMNA P02545 2/20 0.49
▸ RAB9A P51151 4/20 0.48
▸ NPC1 O15118 2/20 0.48
▸ MAPK1 P28482 2/20 0.48
▸ MAPT P10636 2/20 0.48
▸ STAT1 P42224 1/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.48
▸ POLB P06746 1/20 0.48
▸ ATM Q13315 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ MMP1 P03956 1/20 0.47

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
SCHEMBL29020260 0.81 TDP1 (0.53) TDP1KMT2ASLC6A2SLC6A3TSHR
SCHEMBL13505598 0.81 KMT2A (0.53) TDP1KMT2ASLC6A2SLC6A3TSHR
SCHEMBL31556128 0.81 RAB9A (0.55) TDP1KMT2ASLC6A2SLC6A3TSHR
SCHEMBL14837183 0.81 ALDH1A1 (0.61) TDP1KMT2ASLC6A2SLC6A3TSHR
SCHEMBL23113067 0.80 TDP1 (0.51) TDP1KMT2ASLC6A2SLC6A3TSHR
SCHEMBL23113011 0.78 KMT2A (0.43) TDP1KMT2ASLC6A2SLC6A3MMP2
SCHEMBL15558487 0.77 KDM4E (0.45) KMT2ATSHRALDH1A1LMNARAB9A
SCHEMBL23112939 0.77 TDP1 (0.47) TDP1KMT2ASLC6A2SLC6A3TSHR
SCHEMBL29696389 0.77 TDP1 (0.47) TDP1KMT2ASLC6A2SLC6A3TSHR
SCHEMBL23113017 0.74 KMT2A (0.48) TDP1KMT2ASLC6A2SLC6A3TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12606524-B2 Synthesis of pyrrole acid derivatives Infex Therapeutics Limited (GB) 2026-04-21 — — US disclosed
US-12544359-B2 1-aminosulfonyl-2-carboxypyrrole derivatives as metallo-beta-lactamase inhibitors Infex Therapeutics Limited (GB) 2026-02-10 — — US disclosed
CN-114728902-B 1-Aminosulfonyl-2-carboxypyrrole derivatives as metallo-beta-lactamase inhibitors 英菲克斯治疗有限公司 2024-09-13 — — CN disclosed
CN-118307515-A Antibacterial compounds 英菲克斯治疗有限公司 2024-07-09 — — CN disclosed
US-11845725-B2 Antibacterial compounds Infex Therapeutics Limited (GB) 2023-12-19 — — US disclosed
US-20230286915-A1 SYNTHESIS OF PYRROLE ACID DERIVATIVES Infex Therapeutics Limited (GB) 2023-09-14 — — US disclosed
US-20230286915-A1 SYNTHESIS OF PYRROLE ACID DERIVATIVES Infex Therapeutics Limited (GB) 2023-09-14 — — US disclosed
US-20230286915-A1 SYNTHESIS OF PYRROLE ACID DERIVATIVES Infex Therapeutics Limited (GB) 2023-09-14 — — US disclosed
EP-3793990-B1 ANTIBACTERIAL COMPOUNDS INFEX THERAPEUTICS LTD (GB) 2023-07-19 — — EP disclosed
CN-116209652-A Synthesis of pyrrole acid derivatives 英菲克斯治疗有限公司 2023-06-02 — — CN disclosed
US-20230060011-A1 ANTIBACTERIAL COMPOUNDS Infex Therapeutics Limited (GB) 2023-02-23 — — US disclosed
US-20230018460-A1 1-AMINOSULFONYL-2-CARBOXYPYRROLE DERIVATIVES AS METALLO-BETA-LACTAMASE INHIBITORS Infex Therapeutics Limited (GB) 2023-01-19 — — US disclosed
US-11459296-B2 Antibacterial compounds Infex Therapeutics Limited (GB) 2022-10-04 — — US disclosed
EP-4061800-A1 1-AMINOSULFONYL-2-CARBOXYPYRROLE DERIVATIVES AS METALLO-BETA-LACTAMASE INHIBITORS Infex Therapeutics Limited (GB) 2022-09-28 — — EP disclosed
CN-114728902-A 1-aminosulfonyl-2-carboxypyrrole derivatives as metallo-beta-lactamase inhibitors 英菲克斯治疗有限公司 2022-07-08 — — CN disclosed
US-20210230115-A1 Antibacterial Compounds Infex Therapeutics Limited (GB) 2021-07-29 — — US disclosed
WO-2021099793-A1 1-AMINOSULFONYL-2-CARBOXYPYRROLE DERIVATIVES AS METALLO-BETA-LACTAMASE INHIBITORS Infex Therapeutics Limited (GB) 2021-05-27 — — WO disclosed
EP-3793990-A1 ANTIBACTERIAL COMPOUNDS Infex Therapeutics Limited (GB) 2021-03-24 — — EP disclosed
CN-112449638-A Antibacterial compounds 英菲克斯治疗有限公司 2021-03-05 — — CN 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 (8 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-12544359-B2 1-aminosulfonyl-2-carboxypyrrole derivatives as metallo-beta-lactamase inhibitors CBR1, CBR3, SRR TDP1 4365/4885KMT2A 1223/4885SLC6A2 2986/4885
US-20230060011-A1 ANTIBACTERIAL COMPOUNDS GAA, MGAM, NQO1 TDP1 4465/4885KMT2A 2035/4885SLC6A2 3841/4885
US-12606524-B2 Synthesis of pyrrole acid derivatives SRR, ME1, CD79B TDP1 2836/4885KMT2A 2504/4885SLC6A2 4482/4885
US-20210230115-A1 Antibacterial Compounds GAA, MGAM, NQO1 TDP1 4465/4885KMT2A 2035/4885SLC6A2 3841/4885
US-11459296-B2 Antibacterial compounds GAA, MGAM, NQO1 TDP1 4465/4885KMT2A 2035/4885SLC6A2 3841/4885
US-20230286915-A1 SYNTHESIS OF PYRROLE ACID DERIVATIVES PEPD, ALDH18A1, PREP TDP1 3224/4885KMT2A 1184/4885SLC6A2 4343/4885
US-20230018460-A1 1-AMINOSULFONYL-2-CARBOXYPYRROLE DERIVATIVES AS METALLO-BETA-LACTAMASE INHIBITORS CPN1, CMBL, ALDH7A1 TDP1 2584/4885KMT2A 258/4885SLC6A2 4086/4885
US-11845725-B2 Antibacterial compounds GAA, MGAM, NQO1 TDP1 4465/4885KMT2A 2035/4885SLC6A2 3841/4885

“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.