SCHEMBL3030225

SCHEMBL3030225

CC(C)(C)OC(=O)Nc1ccc2[nH]c(C(=O)O)cc2c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LEF1 Q9UJU2 1/20 0.60
PIN1 Q13526 1/20 0.51
MMP13 P45452 2/20 0.49
SMAD3 P84022 1/20 0.49
KDM4E B2RXH2 4/20 0.48
HPGD P15428 3/20 0.48
HSD17B10 Q99714 3/20 0.48
ALDH1A1 P00352 2/20 0.48
F7 P08709 1/20 0.48
F3 P13726 1/20 0.48
PDPK1 O15530 1/20 0.48
LMNA P02545 1/20 0.48
TSHR P16473 1/20 0.48
NFKB1 P19838 1/20 0.48
APEX1 P27695 1/20 0.48
CYP2C19 P33261 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
KMT2A Q03164 1/20 0.46
SRD5A2 P31213 2/20 0.44
MAPT P10636 1/20 0.44

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
SCHEMBL29830077 0.95 LEF1 (0.67) LEF1PIN1MMP13KDM4EALDH1A1
SCHEMBL19885734 0.92 LEF1 (0.61) LEF1PIN1KDM4ELMNAKMT2A
SCHEMBL3035898 0.90 LEF1 (0.49) LEF1PIN1SMAD3KDM4EHPGD
SCHEMBL6617416 0.88 LEF1 (0.74) LEF1MMP13KDM4EHPGDHSD17B10
SCHEMBL13311254 0.88 LEF1 (0.59) LEF1MMP13KDM4EALDH1A1KMT2A
SCHEMBL17414822 0.87 LEF1 (0.48) LEF1PIN1MMP13SMAD3KDM4E
SCHEMBL20742974 0.85 FLT3 (0.59) LEF1SMAD3
SCHEMBL29783677 0.85 FLT3 (0.59) LEF1SMAD3
SCHEMBL14138263 0.84 LEF1 (0.55) LEF1MMP13KDM4EALDH1A1KMT2A
SCHEMBL6619949 0.84 LEF1 (0.81) LEF1MMP13KDM4EALDH1A1KMT2A

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 77 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113929618-B Oxo-pyridine amide derivative, preparation method and medical application thereof 江苏恒瑞医药股份有限公司 2023-08-11 CN disclosed
CN-113912586-B Oxopyridine amide derivatives, preparation method thereof and application thereof in medicines 江苏恒瑞医药股份有限公司 2023-04-07 CN disclosed
CN-113929618-A Oxopyridine amide derivatives, preparation method thereof and application thereof in medicines 江苏恒瑞医药股份有限公司 2022-01-14 CN disclosed
CN-113912586-A Oxopyridine amide derivatives, preparation method thereof and application thereof in medicines 江苏恒瑞医药股份有限公司 2022-01-11 CN disclosed
EP-3486242-B1 OXOPICOLINAMIDE DERIVATIVE, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USE THEREOF JIANGSU HENGRUI MEDICINE CO (CN) 2021-12-08 EP disclosed
EP-3486242-B1 OXOPICOLINAMIDE DERIVATIVE, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USE THEREOF JIANGSU HENGRUI MEDICINE CO (CN) 2021-12-08 EP disclosed
CN-108495850-B Oxopyridine amide derivatives, preparation method thereof and application thereof in medicines 江苏恒瑞医药股份有限公司 2021-11-26 CN disclosed
EP-3500574-B1 SECO-CYCLOPROPAPYRROLOINDOLE COMPOUNDS, ANTIBODY-DRUG CONJUGATES THEREOF, AND METHODS OF MAKING AND USE BRISTOL MYERS SQUIBB CO (US) 2021-11-24 EP disclosed
US-11084808-B2 Oxopicolinamide derivative, preparation method therefor and pharmaceutical use thereof JIANGSU HENGRUI MEDICINE CO., LTD. (CN) 2021-08-10 US disclosed
US-11084808-B2 Oxopicolinamide derivative, preparation method therefor and pharmaceutical use thereof JIANGSU HENGRUI MEDICINE CO., LTD. (CN) 2021-08-10 US disclosed
EP-0656360-B1 TRIFLUOROMETHYLPYRROLOINDOLE CARBOXYLIC ESTER DERIVATIVE AND PROCESS FOR PRODUCING THE SAME KYORIN SEIYAKU KK (JP) 2002-11-20 EP disclosed
US-20020037856-A1 Novel compounds possessing antibacterial, antifungal or antitumor activity GENELABS TECHNOLOGIES, INC. 2002-03-28 US disclosed
WO-2002000650-A2 NOVEL COMPOUNDS POSSESSING ANTIBACTERIAL, ANTIFUNGAL OR ANTITUMOR ACTIVITY GENELABS TECHNOLOGIES, INC. (US) 2002-01-03 WO disclosed
US-6281354-B1 ANTIBIOTICS; ANTITUMOR AGENTS THE SCRIPPS RESEARCH INSTITUTE 2001-08-28 US disclosed
EP-0983248-A4 ANALOGS OF DUOCARMYCIN AND CC-1065 SCRIPPS RESEARCH INST (US) 2000-09-13 EP disclosed
EP-0983248-A1 ANALOGS OF DUOCARMYCIN AND CC-1065 The Scripps Research Institute (US) 2000-03-08 EP disclosed
US-5843937-A DNA-binding indole derivatives, their prodrugs and immunoconjugates as anticancer agents PANORAMA RESEARCH, INC. (US) 1998-12-01 US disclosed
WO-1998052925-A1 ANALOGS OF DUOCARMYCIN AND CC-1065 THE SCRIPPS RESEARCH INSTITUTE (US) 1998-11-26 WO disclosed
US-5629430-A ANTICARCINOGENIC AGENTS KYORIN PHARMACEUTICAL CO., LTD. (JP) 1997-05-13 US disclosed
EP-0656360-A1 TRIFLUOROMETHYLPYRROLOINDOLE CARBOXYLIC ESTER DERIVATIVE AND PROCESS FOR PRODUCING THE SAME KYORIN PHARMACEUTICAL CO., LTD. (JP) 1995-06-07 EP 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 (2 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-11084808-B2 Oxopicolinamide derivative, preparation method therefor and pharmaceutical use thereof F11, F2, F7 LEF1 558/4885PIN1 208/4885MMP13 1729/4885
US-20020037856-A1 Novel compounds possessing antibacterial, antifungal or antitumor activity CYP51A1, MCL1, ERG28 LEF1 1481/4885PIN1 3449/4885MMP13 1826/4885

“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.