SCHEMBL604580

SCHEMBL604580

Nc1cc(C(=O)O)c(F)cc1F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 2/20 0.50
KDM4E B2RXH2 10/20 0.44
ASPH Q12797 1/20 0.44
KDM8 Q8N371 1/20 0.44
KMT2A Q03164 6/20 0.43
GFER P55789 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
MEN1 O00255 5/20 0.42
MAPT P10636 5/20 0.42
TDP1 Q9NUW8 4/20 0.42
THRB P10828 4/20 0.42
RECQL P46063 2/20 0.42
USP2 O75604 2/20 0.42
PKM P14618 2/20 0.42
MCL1 Q07820 2/20 0.42
POLB P06746 1/20 0.42
APEX1 P27695 1/20 0.42
BLM P54132 1/20 0.42
ALDH1A1 P00352 5/20 0.41
HPGD P15428 2/20 0.41

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
SCHEMBL30222084 1.00 KEAP1 (0.50) KEAP1KDM4EASPHKDM8KMT2A
SCHEMBL99199 0.91 KEAP1 (0.50) KEAP1KDM4EASPHKDM8KMT2A
SCHEMBL24338031 0.88 KEAP1 (0.52) KEAP1KDM4EASPHKDM8KMT2A
Ammonia Solution, Strong SCHEMBL15377820 0.86 KEAP1 (0.50) KEAP1KDM4EASPHKDM8KMT2A
SCHEMBL5872835 0.83 KDM4E (0.52) KEAP1KDM4EASPHKDM8KMT2A
SCHEMBL17774712 0.83 ALDH1A1 (0.48) KEAP1KDM4EKMT2AGFERRXFP1
SCHEMBL19834110 0.83 KEAP1 (0.47) KEAP1KDM4EASPHKDM8KMT2A
SCHEMBL3086937 0.82 DGAT1 (0.48) KEAP1KMT2AMEN1MAPTALDH1A1
SCHEMBL21050064 0.81 CA12 (0.47) KEAP1KDM4EASPHKDM8KMT2A
SCHEMBL10324220 0.81 KEAP1 (0.46) KEAP1KDM4EASPHKDM8KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230159564-A1 2-Oxo-Thiazole Derivatives as A2A Inhibitors and Compounds for Use in the Treatment of Cancers iTeos Belgium SA (BE) 2023-05-25 US disclosed
US-20230159564-A1 2-Oxo-Thiazole Derivatives as A2A Inhibitors and Compounds for Use in the Treatment of Cancers iTeos Belgium SA (BE) 2023-05-25 US disclosed
US-20230159564-A1 2-Oxo-Thiazole Derivatives as A2A Inhibitors and Compounds for Use in the Treatment of Cancers iTeos Belgium SA (BE) 2023-05-25 US disclosed
US-11634390-B2 Agricultural chemicals GLOBACHEM NV (BE) 2023-04-25 US disclosed
CN-115991679-A 2-oxothiazole derivatives as A2A inhibitors and compounds for the treatment of cancer 伊忒欧斯比利时股份公司 2023-04-21 CN disclosed
WO-2023062627-A1 HERBICIDES AND USE THEREOF PROJINI AGCHEM LTD (IL) 2023-04-20 WO disclosed
CN-115873022-A 2-oxothiazole derivatives as A2A inhibitors and compounds for the treatment of cancer 伊忒欧斯比利时股份公司 2023-03-31 CN disclosed
US-20230098694-A1 NON BRAIN PENETRANT A2A INHIBITORS AND METHODS FOR USE IN THE TREATMENT OF CANCERS ITEOS BELGIUM S A (BE) 2023-03-30 US disclosed
CN-110678472-B 2-oxothiazole derivatives as A2A inhibitors and compounds for the treatment of cancer 伊忒欧斯比利时股份公司 2023-01-24 CN disclosed
EP-4112623-A1 2-OXO-THIAZOLE DERIVATIVES AS A2A INHIBITORS AND COMPOUNDS FOR USE IN THE TREATMENT OF CANCERS iTeos Belgium SA (BE) 2023-01-04 EP disclosed
US-7084160-B2 Heterocyclic inhibitors of kinases BRISTOL-MYERS SQUIBB COMPANY (US) 2006-08-01 US disclosed
US-20060135576-A1 Heterocyclic inhibitors of kinases BORZILLERI ROBERT M 2006-06-22 US disclosed
US-20050234060-A1 Pyrrolotriazine kinase inhibitors BHIDE RAJEEV S 2005-10-20 US disclosed
US-6951859-B2 Pyrrolotriazine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2005-10-04 US disclosed
EP-1543009-A1 PYRROLOTRIAZINE KINASE INHIBITORS Bristol-Myers Squibb Company (US) 2005-06-22 EP disclosed
EP-1513818-A2 HETEROCYCLIC INHIBITORS OF KINASES Bristol-Myers Squibb Company (US) 2005-03-16 EP disclosed
US-20040077696-A1 Heterocyclic inhibitors of kinases BRISTOL-MYERS SQUIBB COMPANY 2004-04-22 US disclosed
US-20040063708-A1 Pyrrolotriazine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-04-01 US disclosed
WO-2004013145-A1 PYRROLOTRIAZINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-02-12 WO disclosed
WO-2004001059-A2 HETEROCYCLIC INHIBITORS OF KINASES BRISTOL-MYERS SQUIBB COMPANY (US) 2003-12-31 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 (7 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-20060135576-A1 Heterocyclic inhibitors of kinases FGFR1, FLT1, FGFR2 KEAP1 1216/4885KDM4E 1669/4885ASPH 1964/4885
US-20230098694-A1 NON BRAIN PENETRANT A2A INHIBITORS AND METHODS FOR USE IN THE TREATMENT OF CANCERS ADORA2A, ADORA2B, ADORA1 KEAP1 2160/4885KDM4E 2990/4885ASPH 2501/4885
US-20040077696-A1 Heterocyclic inhibitors of kinases FGFR1, FLT1, FGFR2 KEAP1 1290/4885KDM4E 2184/4885ASPH 2227/4885
US-20230159564-A1 2-Oxo-Thiazole Derivatives as A2A Inhibitors and Compounds for Use in the Treatment of Cancers ADORA2A, ADORA2B, ADORA3 KEAP1 1045/4885KDM4E 3152/4885ASPH 3392/4885
US-20040063708-A1 Pyrrolotriazine kinase inhibitors FGFR1, FLT1, FGFR2 KEAP1 1908/4885KDM4E 1969/4885ASPH 2067/4885
US-11634390-B2 Agricultural chemicals DDT, DHFR, AS3MT KEAP1 69/4885KDM4E 789/4885ASPH 243/4885
US-20050234060-A1 Pyrrolotriazine kinase inhibitors FGFR1, FLT1, FGFR2 KEAP1 1806/4885KDM4E 2156/4885ASPH 2285/4885

“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.