SCHEMBL22495641

SCHEMBL22495641

Cc1ccc(S(=O)(=O)Oc2nc(C)n(-c3ccc(F)c(Cl)c3Cl)c(=O)c2C)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 10/20 0.41
KEAP1 Q14145 1/20 0.39
NFE2L2 Q16236 1/20 0.39
TP53 P04637 1/20 0.34
ATIC P31939 1/20 0.33
NPC1 O15118 2/20 0.33
PKM P14618 1/20 0.33
KMT2A Q03164 1/20 0.32
ENPP3 O14638 1/20 0.32
ENPP1 P22413 1/20 0.32
ENPP2 Q13822 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
HSP90AA1 P07900 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
XBP1 P17861 1/20 0.32
MAPK1 P28482 1/20 0.32
HTT P42858 1/20 0.32
RAB9A P51151 1/20 0.32

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
SCHEMBL29391146 1.00 PTPN11 (0.41) PTPN11KEAP1NFE2L2TP53ATIC
SCHEMBL22495554 0.94 PTPN11 (0.41) PTPN11KEAP1NFE2L2TP53ATIC
SCHEMBL29390474 0.94 PTPN11 (0.41) PTPN11KEAP1NFE2L2TP53ATIC
SCHEMBL22495558 0.93 PTPN11 (0.40) PTPN11KEAP1NFE2L2TP53ATIC
SCHEMBL29389990 0.93 PTPN11 (0.40) PTPN11KEAP1NFE2L2TP53ATIC
SCHEMBL22495682 0.91 PTPN11 (0.41) PTPN11KEAP1NFE2L2ALDH1A1HPGD
SCHEMBL29391138 0.91 PTPN11 (0.41) PTPN11KEAP1NFE2L2ALDH1A1HPGD
SCHEMBL22495612 0.86 PTPN11 (0.43) PTPN11KEAP1NFE2L2NPC1KMT2A
SCHEMBL29388332 0.86 PTPN11 (0.43) PTPN11KEAP1NFE2L2NPC1KMT2A
SCHEMBL22545188 0.84 KEAP1 (0.42) PTPN11KEAP1NFE2L2KMT2AALDH1A1

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11702392-B2 Pyrimidinone derivatives as SHP2 antagonists MERCK PATENT GMBH (DE) 2023-07-18 US disclosed
US-11702392-B2 Pyrimidinone derivatives as SHP2 antagonists MERCK PATENT GMBH (DE) 2023-07-18 US disclosed
US-11702392-B2 Pyrimidinone derivatives as SHP2 antagonists MERCK PATENT GMBH (DE) 2023-07-18 US disclosed
EP-3952998-A1 PYRIMIDINONE DERIVATIVES AS SHP2 ANTAGONISTS Merck Patent GmbH (DE) 2022-02-16 EP disclosed
CN-113646049-A Pyrimidone derivatives as SHP2 antagonists 默克专利有限公司 2021-11-12 CN disclosed
US-20210179565-A1 PYRIMIDINONE DERIVATIVES AS SHP2 ANTAGONISTS MERCK PATENT GMBH (DE) 2021-06-17 US disclosed
US-20210179565-A1 PYRIMIDINONE DERIVATIVES AS SHP2 ANTAGONISTS MERCK PATENT GMBH (DE) 2021-06-17 US disclosed
US-11001561-B2 Pyrimidinone derivatives as SHP2 antagonists MERCK PATENT GMBH (DE) 2021-05-11 US disclosed
US-11001561-B2 Pyrimidinone derivatives as SHP2 antagonists MERCK PATENT GMBH (DE) 2021-05-11 US disclosed
WO-2020210384-A1 PYRIMIDINONE DERIVATIVES AS SHP2 ANTAGONISTS MERCK PATENT GMBH (DE) 2020-10-15 WO disclosed
WO-2020210384-A1 PYRIMIDINONE DERIVATIVES AS SHP2 ANTAGONISTS MERCK PATENT GMBH (DE) 2020-10-15 WO disclosed
US-20200317622-A1 PYRIMIDINONE DERIVATIVES AS SHP2 ANTAGONISTS EMD SERONO RESEARCH AND DEVELOPMENT, INC. 2020-10-08 US disclosed
US-20200317622-A1 PYRIMIDINONE DERIVATIVES AS SHP2 ANTAGONISTS EMD SERONO RESEARCH AND DEVELOPMENT, INC. 2020-10-08 US 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 (4 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-11001561-B2 Pyrimidinone derivatives as SHP2 antagonists PTPN5, PTPN1, PTPN2 PTPN11 14/4885KEAP1 871/4885NFE2L2 2485/4885
US-11702392-B2 Pyrimidinone derivatives as SHP2 antagonists PTPN5, PTPN1, PTPN2 PTPN11 14/4885KEAP1 871/4885NFE2L2 2485/4885
US-20210179565-A1 PYRIMIDINONE DERIVATIVES AS SHP2 ANTAGONISTS PTPN5, PTPN1, PTPN2 PTPN11 14/4885KEAP1 871/4885NFE2L2 2485/4885
US-20200317622-A1 PYRIMIDINONE DERIVATIVES AS SHP2 ANTAGONISTS PTPN5, PTPN1, PTPN2 PTPN11 14/4885KEAP1 871/4885NFE2L2 2485/4885

“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.