SCHEMBL5227532

SCHEMBL5227532

Cc1c(C(=O)O)cc[nH]c1=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAPRT Q6XQN6 1/20 0.53
KDM4E B2RXH2 6/20 0.41
HPGD P15428 3/20 0.41
GAA P10253 2/20 0.41
HSD17B10 Q99714 2/20 0.41
KEAP1 Q14145 1/20 0.40
ALDH1A1 P00352 4/20 0.39
KMT2A Q03164 2/20 0.39
CSNK2A2 P19784 1/20 0.39
CSNK2B P67870 1/20 0.39
CSNK2A1 P68400 1/20 0.39
NOTUM Q6P988 1/20 0.39
AURKA O14965 1/20 0.39
TPX2 Q9ULW0 1/20 0.39
MAPT P10636 1/20 0.38
TSHR P16473 1/20 0.38
KDM3B Q7LBC6 1/20 0.37
DYRK1A Q13627 1/20 0.37
LDHA P00338 1/20 0.36
ALOX15 P16050 1/20 0.36

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
SCHEMBL7413639 0.82 PDPK1 (0.42) NAPRTKDM4EHPGDALDH1A1MAPT
SCHEMBL6865182 0.77 NAPRT (0.55) NAPRTKDM4EHPGDGAAHSD17B10
SCHEMBL26619127 0.77 NAPRT (0.55) NAPRTKDM4EHPGDGAAHSD17B10
SCHEMBL25487757 0.76 NAPRT (0.33) NAPRTKDM4EHPGDHSD17B10ALDH1A1
SCHEMBL14848174 0.76 NAPRT (0.33) NAPRTKDM4EHPGDHSD17B10ALDH1A1
SCHEMBL6219929 0.76 ALDH1A1 (0.56) KDM4EHPGDGAAHSD17B10ALDH1A1
SCHEMBL2549032 0.76
SCHEMBL69690 0.75 KEAP1 (0.47) NAPRTKDM4EHPGDGAAHSD17B10
SCHEMBL23674962 0.75 NAPRT (0.48) NAPRTKDM4EHPGDGAAHSD17B10
SCHEMBL2590342 0.75 NAPRT (0.48) NAPRTKDM4EHPGDGAAHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12630549-B2 Pyrazoleamide derivatives HOFFMANN-LA ROCHE INC. (US) 2026-05-19 US disclosed
EP-4284797-A1 PYRAZOLEAMIDE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2023-12-06 EP disclosed
US-20230382911-A1 PYRAZOLEAMIDE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2023-11-30 US disclosed
CN-116867782-A Pyrazole amide derivative 豪夫迈·罗氏有限公司 2023-10-10 CN disclosed
WO-2022162034-A1 PYRAZOLEAMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2022-08-04 WO disclosed
EP-2731932-B1 AMINOMETHYL QUINOLONE COMPOUNDS HOFFMANN LA ROCHE (CH) 2015-12-30 EP disclosed
EP-2731932-A1 AMINOMETHYL QUINOLONE COMPOUNDS F.HOFFMANN-LA ROCHE AG (CH) 2014-05-21 EP disclosed
US-8501732-B2 Aminomethyl quinolone compounds HOFFMANN-LA ROCHE INC. (US) 2013-08-06 US disclosed
WO-2013007676-A1 AMINOMETHYL QUINOLONE COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2013-01-17 WO disclosed
US-20130018043-A1 AMINOMETHYL QUINOLONE COMPOUNDS BILOTTA JOSEPH A (US) 2013-01-17 US disclosed
US-5827859-A ADMINISTERED TO TREAT AIDS; VIRICIDES AGOURON PHARMACEUTICALS, INC. 1998-10-27 US disclosed
US-5827891-A FOR TREATMENT OF AIDS, BLOCKING REPLICATION OF HIV VIRUS AGOURON PHARMACEUTICALS, INC. 1998-10-27 US disclosed
US-5824688-A HIV protease inhibitors AGOURON PHARMACEUTICALS, INC. 1998-10-20 US disclosed
EP-0741719-A4 INTERMEDIATE AND PROCESS FOR MAKING LILLY CO ELI (US) 1997-04-02 EP disclosed
EP-0741719-A1 INTERMEDIATE AND PROCESS FOR MAKING ELI LILLY AND COMPANY (US) 1996-11-13 EP disclosed
EP-0722439-A1 HIV PROTEASE INHIBITORS AGOURON PHARMACEUTICALS, INC. (US) 1996-07-24 EP disclosed
US-5484926-A VIRICIDES AND ENZYME INHIBITORS AGOURON PHARMACEUTICALS, INC. (US) 1996-01-16 US disclosed
US-5461154-A HIV protease inhibitors ELI LILLY AND COMPANY (US) 1995-10-24 US disclosed
WO-1995021164-A1 INTERMEDIATE AND PROCESS FOR MAKING ELI LILLY AND COMPANY (US) 1995-08-10 WO disclosed
WO-1995009843-A1 HIV PROTEASE INHIBITORS AGOURON PHARMACEUTICALS, INC. (US) 1995-04-13 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-20130018043-A1 AMINOMETHYL QUINOLONE COMPOUNDS MAP3K1, MAP3K11, MAP3K5 NAPRT 1849/4885KDM4E 1441/4885HPGD 937/4885
US-20230382911-A1 PYRAZOLEAMIDE DERIVATIVES P2RY1, P2RX1, P2RX5 NAPRT 1184/4885KDM4E 2850/4885HPGD 611/4885
US-12630549-B2 Pyrazoleamide derivatives CYP11B2, CYP11B1, ADRA1B NAPRT 4013/4885KDM4E 3127/4885HPGD 1203/4885

“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.