SCHEMBL221092

SCHEMBL221092

O=C(O)CON1C(=O)c2ccccc2C1=O

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.72
CYP1A2 P05177 2/20 0.72
CYP2C9 P11712 1/20 0.72
GAA P10253 1/20 0.56
CA12 O43570 1/20 0.53
CA9 Q16790 1/20 0.53
MAPT P10636 2/20 0.49
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
PPARD Q03181 1/20 0.47
PPARA Q07869 1/20 0.47
HTT P42858 1/20 0.45
KDM4E B2RXH2 2/20 0.44
HPGD P15428 2/20 0.44
RECQL P46063 1/20 0.44
ALOX15 P16050 1/20 0.44
TP53 P04637 1/20 0.44
GLA P06280 1/20 0.44
POLB P06746 1/20 0.44
CYP3A4 P08684 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
SCHEMBL28658136 0.84 ALDH1A1 (1.00) ALDH1A1CYP1A2CYP2C9GAACA12
SCHEMBL8610167 0.83 ALDH1A1 (0.65) ALDH1A1CYP1A2CYP2C9GAACA12
SCHEMBL4279628 0.83 ALDH1A1 (0.65) ALDH1A1CYP1A2CYP2C9GAACA12
SCHEMBL9740512 0.83 ALDH1A1 (0.65) ALDH1A1CYP1A2CYP2C9GAACA12
SCHEMBL1562501 0.80 ALDH1A1 (0.61) ALDH1A1CYP1A2CYP2C9GAAMAPT
SCHEMBL4268243 0.80 KMT2A (0.60) ALDH1A1CYP1A2CYP2C9GAAMAPT
SCHEMBL13545621 0.79 GAA (0.69) ALDH1A1CYP1A2CYP2C9GAACA12
SCHEMBL18262805 0.79 GAA (0.59) ALDH1A1CYP1A2CYP2C9GAACA12
SCHEMBL14697334 0.79 ALDH1A1 (0.59) ALDH1A1CYP1A2CYP2C9GAAMAPT
SCHEMBL4267439 0.79 ALDH1A1 (0.59) ALDH1A1CYP1A2CYP2C9GAACA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12037405-B2 Anti-CD70 antibody drug conjugates AMBRX, INC. 2024-07-16 US disclosed
US-12037405-B2 Anti-CD70 antibody drug conjugates AMBRX, INC. 2024-07-16 US disclosed
US-20230295320-A1 Anti-CD70 Antibody Drug Conjugates AMBRX, INC. (US) 2023-09-21 US disclosed
US-20230295320-A1 Anti-CD70 Antibody Drug Conjugates AMBRX, INC. (US) 2023-09-21 US disclosed
US-20220033518-A1 PROSTATE-SPECIFIC MEMBRANE ANTIGEN ANTIBODY DRUG CONJUGATES AMBRX,INC. (US) 2022-02-03 US disclosed
US-10954270-B2 Compositions containing, methods involving, and uses of non-natural amino acid linked dolastatin derivatives AMBRX, INC. (US) 2021-03-23 US disclosed
US-10800856-B2 Prostate-specific membrane antigen antibody drug conjugates AMBRX, INC. (US) 2020-10-13 US disclosed
EP-3536700-A1 PROSTATE-SPECIFIC MEMBRANE ANTIGEN ANTIBODY DRUG CONJUGATES Ambrx, Inc. (US) 2019-09-11 EP disclosed
EP-3470413-A2 COMPOSITIONS CONTAINING, METHODS INVOLVING, AND USES OF NON-NATURAL AMINO ACID LINKED DOLASTATIN DERIVATIVES Ambrx, Inc. (US) 2019-04-17 EP disclosed
EP-2858676-B1 PROSTATE-SPECIFIC MEMBRANE ANTIGEN ANTIBODY DRUG CONJUGATES AMBRX INC (US) 2019-03-13 EP disclosed
US-20060016752-A1 Dialysis solution containing single compound with an antioxidant group, e.g., vitamin E, cinnamic acid derivatives, pyridoxamine, flavonoids, lipoic acid, linked to a carbonyl-trapping group, e.g., aminooxy or 1,2-aminothiol group via, e.g., piperazine, poly(ethylene glycol), or lysine; antiinflammatory BAXTER INTERNATIONAL INC. 2006-01-26 US disclosed
US-20050222243-A1 Nitrosated nonsteroidal antiinflammatory compounds, compositions and methods of use NITROMED, INC. (US) 2005-10-06 US disclosed
EP-1539729-A2 NITROSATED NONSTEROIDAL ANTIINFLAMMATORY COMPOUNDS, COMPOSITIONS AND METHODS OF USE Nitromed, Inc. (US) 2005-06-15 EP disclosed
US-20040024057-A1 Nitrosated nonsteroidal antiinflammatory compounds, compositions and methods of use related applications NITROMED, INC. 2004-02-05 US disclosed
WO-2004004648-A2 NITROSATED NONSTEROIDAL ANTIINFLAMMATORY COMPOUNDS, COMPOSITIONS AND METHODS OF USE NITROMED, INC. (US) 2004-01-15 WO disclosed
US-20030125389-A1 Beta-amino acid derivatives useful for the treatment of bacterial infections VERSICOR, INC. 2003-07-03 US disclosed
EP-0416814-A2 Cephalosporin compounds, process for their preparation, pharmaceutical compositions and intermediates BEECHAM GROUP PLC (GB) 1991-03-13 EP disclosed
EP-0244637-A1 Starting compounds for 7-acylamino-3-vinylcephalosporanic acid derivatives and processes for their preparation FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1987-11-11 EP disclosed
EP-0123024-A2 7-Acylamino-3-vinylcephalosporanic acid derivatives, processes for their preparation, pharmaceutical compositions containing them; their starting compounds and their preparation FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1984-10-31 EP disclosed
EP-0030630-A2 7-Acylamino-3-vinylcephalosporanic acid derivatives, processes for their preparation, pharmaceutical compositions containing them; their starting compounds and their preparation FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1981-06-24 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 (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-20030125389-A1 Beta-amino acid derivatives useful for the treatment of bacterial infections BCAT2, BCAT1, AADAT ALDH1A1 1544/4885CYP1A2 1116/4885CYP2C9 862/4885
US-12037405-B2 Anti-CD70 antibody drug conjugates CD74, CD63, CD47 ALDH1A1 868/4885CYP1A2 2119/4885CYP2C9 2579/4885
US-20040024057-A1 Nitrosated nonsteroidal antiinflammatory compounds, compositions and methods of use related applications NOS2, NOS1, NOS3 ALDH1A1 383/4885CYP1A2 230/4885CYP2C9 109/4885
US-10800856-B2 Prostate-specific membrane antigen antibody drug conjugates KLK3, PTMS, DDOST ALDH1A1 2041/4885CYP1A2 3716/4885CYP2C9 3103/4885
US-10954270-B2 Compositions containing, methods involving, and uses of non-natural amino acid linked dolastatin derivatives DDOST, DAD1, PTMS ALDH1A1 4288/4885CYP1A2 4085/4885CYP2C9 1454/4885
US-20050222243-A1 Nitrosated nonsteroidal antiinflammatory compounds, compositions and methods of use NOS2, NOS1, NOS3 ALDH1A1 385/4885CYP1A2 229/4885CYP2C9 101/4885
US-20230295320-A1 Anti-CD70 Antibody Drug Conjugates CD63, CD74, CD99 ALDH1A1 1177/4885CYP1A2 2172/4885CYP2C9 2597/4885
US-20220033518-A1 PROSTATE-SPECIFIC MEMBRANE ANTIGEN ANTIBODY DRUG CONJUGATES KLK3, PTMS, DDOST ALDH1A1 2041/4885CYP1A2 3716/4885CYP2C9 3103/4885

“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.