SCHEMBL3611265

SCHEMBL3611265

Cc1cccc2c(-c3ccccc3)c(C(=O)O)[nH]c12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 2/20 1.00
RPA1 P27694 1/20 1.00
FBP1 P09467 4/20 0.62
KDM4E B2RXH2 6/20 0.59
ALDH1A1 P00352 3/20 0.59
HPGD P15428 3/20 0.59
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
GFER P55789 2/20 0.55
HTT P42858 2/20 0.55
HSD17B10 Q99714 1/20 0.55
MAP2 P11137 3/20 0.54
MAPT P10636 3/20 0.50
PIM1 P11309 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
GPR35 Q9HC97 1/20 0.50
GAA P10253 2/20 0.47
POLB P06746 1/20 0.47
TSHR P16473 1/20 0.47
RECQL P46063 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
SCHEMBL29569498 0.97 MCL1 (0.94) MCL1RPA1FBP1KDM4EALDH1A1
SCHEMBL18943636 0.97 MCL1 (0.94) MCL1RPA1FBP1KDM4EALDH1A1
SCHEMBL18919772 0.88 MCL1 (0.79) MCL1RPA1FBP1KDM4EALDH1A1
SCHEMBL18919759 0.88 MCL1 (0.79) MCL1RPA1FBP1KDM4EALDH1A1
SCHEMBL18919723 0.88 MCL1 (0.79) MCL1RPA1FBP1KDM4EALDH1A1
SCHEMBL18919809 0.88 MCL1 (0.79) MCL1RPA1FBP1KDM4EALDH1A1
SCHEMBL18919753 0.88 MCL1 (0.79) MCL1RPA1FBP1KDM4EALDH1A1
SCHEMBL29568467 0.88 MCL1 (0.79) MCL1RPA1FBP1KDM4EALDH1A1
SCHEMBL18919697 0.88 MCL1 (0.78) MCL1RPA1FBP1KDM4EALDH1A1
SCHEMBL29568698 0.87 MCL1 (0.76) MCL1RPA1FBP1KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108602795-B Inhibitors of metallo-beta-lactamases 牛津大学科技创新有限公司 2022-04-22 CN claimed
US-20200375946-A1 INHIBITORS OF METALLO-BETA-LACTAMASES OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2020-12-03 US claimed
CN-108602795-A The inhibitor of metal-beta-lactamase 牛津大学科技创新有限公司 2018-09-28 CN claimed
US-11439622-B2 Inhibitors of metallo-beta-lactamases OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2022-09-13 US disclosed
CN-108602795-B Inhibitors of metallo-beta-lactamases 牛津大学科技创新有限公司 2022-04-22 CN disclosed
US-20200375946-A1 INHIBITORS OF METALLO-BETA-LACTAMASES OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2020-12-03 US disclosed
US-20200375946-A1 INHIBITORS OF METALLO-BETA-LACTAMASES OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2020-12-03 US disclosed
EP-3383858-A1 INHIBITORS OF METALLO-BETA-LACTAMASES Oxford University Innovation Limited (GB) 2018-10-10 EP disclosed
WO-2017093727-A1 INHIBITORS OF METALLO-BETA-LACTAMASES OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2017-06-08 WO disclosed
WO-2017093727-A1 INHIBITORS OF METALLO-BETA-LACTAMASES OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2017-06-08 WO disclosed
US-20100035862-A1 NOVEL AZA-CYCLIC INDOLE-2-CARBOXAMIDES AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2010-02-11 US disclosed
WO-2009158375-A1 AZA-CYLIC INDOLE- 2 -CARBOXAMIDES AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2009-12-30 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 (3 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-20100035862-A1 NOVEL AZA-CYCLIC INDOLE-2-CARBOXAMIDES AND METHODS OF USE THEREOF IDO2, IDO1, INMT MCL1 124/4885RPA1 3985/4885FBP1 2234/4885
US-11439622-B2 Inhibitors of metallo-beta-lactamases IDO1, MGAM, LCT MCL1 702/4885RPA1 4544/4885FBP1 466/4885
US-20200375946-A1 INHIBITORS OF METALLO-BETA-LACTAMASES IDO1, MGAM, LCT MCL1 702/4885RPA1 4544/4885FBP1 466/4885

“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.