SCHEMBL600522

SCHEMBL600522

Nc1ccc(C(=O)O)c(F)c1F

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.55
KDM4E B2RXH2 6/20 0.48
KMT2A Q03164 3/20 0.48
GFER P55789 1/20 0.48
RXFP1 Q9HBX9 1/20 0.48
MAPT P10636 4/20 0.47
TDP1 Q9NUW8 3/20 0.47
MEN1 O00255 2/20 0.47
THRB P10828 2/20 0.47
USP2 O75604 1/20 0.47
POLB P06746 1/20 0.47
PKM P14618 1/20 0.47
APEX1 P27695 1/20 0.47
RECQL P46063 1/20 0.47
BLM P54132 1/20 0.47
MCL1 Q07820 1/20 0.47
ALDH1A1 P00352 6/20 0.46
HPGD P15428 1/20 0.46
HSD17B10 Q99714 1/20 0.46
GLA P06280 1/20 0.45

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
SCHEMBL1713540 0.85 CYP1A2 (0.58) KEAP1KDM4EMAPTALDH1A1HPGD
SCHEMBL30548341 0.85 CYP1A2 (0.58) KEAP1KDM4EMAPTALDH1A1HPGD
SCHEMBL15962073 0.83 MMP2 (0.53) KEAP1KDM4EKMT2AGFERRXFP1
SCHEMBL30325610 0.82 DGAT1 (0.44) KEAP1KDM4EKMT2AGFERRXFP1
SCHEMBL9344625 0.81 KEAP1 (0.50) KEAP1KDM4EKMT2AGFERRXFP1
SCHEMBL1020183 0.81 KEAP1 (0.50) KEAP1KDM4EKMT2AGFERRXFP1
SCHEMBL17049159 0.81 KDM4E (0.50) KEAP1KDM4EKMT2AGFERRXFP1
SCHEMBL5517947 0.81 KEAP1 (0.50) KEAP1KDM4EKMT2AGFERRXFP1
SCHEMBL1020878 0.81 KEAP1 (0.50) KEAP1KDM4EKMT2AGFERRXFP1
SCHEMBL31227767 0.80 MMP2 (0.61) KEAP1KDM4EKMT2AGFERRXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240228511-A1 SUBSTITUTED FUSED AZINES AS KRAS G12D INHIBITORS ELI LILLY AND COMPANY 2024-07-11 US disclosed
US-20240228511-A1 SUBSTITUTED FUSED AZINES AS KRAS G12D INHIBITORS ELI LILLY AND COMPANY 2024-07-11 US disclosed
CN-117500799-A Substituted fused azines as KRAS G12D inhibitors 伊莱利利公司 2024-02-02 CN disclosed
US-20240025916-A1 KRAS G12C INHIBITORS ELI LILLY AND COMPANY 2024-01-25 US disclosed
US-20240025916-A1 KRAS G12C INHIBITORS ELI LILLY AND COMPANY 2024-01-25 US disclosed
US-20230339968-A1 KRAS Gl2C INHIBITORS ELI LILLY AND COMPANY 2023-10-26 US disclosed
US-20230339968-A1 KRAS Gl2C INHIBITORS ELI LILLY AND COMPANY 2023-10-26 US disclosed
EP-4255912-A1 TRICYCLIC KRAS G12C INHIBITORS Eli Lilly and Company (US) 2023-10-11 EP disclosed
US-11731984-B2 KRas G12C inhibitors ELI LILLY AND COMPANY (US) 2023-08-22 US disclosed
US-11731984-B2 KRas G12C inhibitors ELI LILLY AND COMPANY (US) 2023-08-22 US disclosed
EP-2190827-B1 N-BENZYL-N'-ARYLCARBONYLPIPERAZINE DERIVATIVES AS LXR MODULATORS ORGANON NV (NL) 2011-01-12 EP disclosed
WO-2010118986-A1 FLUORO SUBSTITUTED PYRIMIDINE COMPOUNDS AS JAK3 INHIBITORS CELLZOME LIMITED (GB) 2010-10-21 WO disclosed
EP-2190827-A1 N-BENZYL, N' -ARYLCARBONYLPIPERAZINE DERIVATIVES AS LXR MODULATORS N.V. Organon (NL) 2010-06-02 EP disclosed
US-20090318408-A1 HALO-SUBSTITUTED PYRIMIDODIAZEPINES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-12-24 US disclosed
WO-2009153197-A1 HALO-SUBSTITUTED PYRIMIDODIAZEPINES AS PLKL INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2009-12-23 WO disclosed
US-20090264416-A1 N-BENZYL,N'-ARYLCARBONYLPIPERAZINE DERIVATIVES N.V. ORGANON AND PHARMACOPEIA, INC. 2009-10-22 US disclosed
WO-2009024550-A1 N-BENZYL, N' -ARYLCARBONYLPIPERAZINE DERIVATIVES AS LXR MODULATORS N.V. ORGANON (NL) 2009-02-26 WO disclosed
EP-0882725-B1 QUINOLONECARBOXYLIC ACID DERIVATIVES OR SALTS THEREOF TOYAMA CHEMICAL CO LTD (JP) 2002-12-18 EP disclosed
US-6025370-A METHICILLIN-RESISTANT STAPHYLOCOCCUS AUREUS TOYAMA CHEMICAL CO., LTD. (JP) 2000-02-15 US disclosed
EP-0882725-A1 QUINOLONECARBOXYLIC ACID DERIVATIVES OR SALTS THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 1998-12-09 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 (6 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-20230339968-A1 KRAS Gl2C INHIBITORS KRAS, NRAS, GLS2 KEAP1 160/4885KDM4E 2605/4885KMT2A 558/4885
US-20090264416-A1 N-BENZYL,N'-ARYLCARBONYLPIPERAZINE DERIVATIVES NPC1L1, NPC1, ABCB11 KEAP1 932/4885KDM4E 3490/4885KMT2A 4268/4885
US-11731984-B2 KRas G12C inhibitors KRAS, NRAS, HRAS KEAP1 143/4885KDM4E 2846/4885KMT2A 1197/4885
US-20240025916-A1 KRAS G12C INHIBITORS KRAS, NRAS, HRAS KEAP1 250/4885KDM4E 3391/4885KMT2A 1524/4885
US-20240228511-A1 SUBSTITUTED FUSED AZINES AS KRAS G12D INHIBITORS KRAS, NRAS, TP53 KEAP1 457/4885KDM4E 1034/4885KMT2A 413/4885
US-20090318408-A1 HALO-SUBSTITUTED PYRIMIDODIAZEPINES PLK1, CCNI, CDK1 KEAP1 355/4885KDM4E 2536/4885KMT2A 663/4885

“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.