SCHEMBL22789596

SCHEMBL22789596

CC(C)(C)OC(=O)N1CCC2(CC1)Cc1ccc(NS(C)(=O)=O)cc1C2=O

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 9/20 0.46
ALDH2 P05091 2/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
MMP2 P08253 2/20 0.41
MMP13 P45452 2/20 0.41
ADAM17 P78536 2/20 0.41
MMP14 P50281 1/20 0.41
F13A1 P00488 3/20 0.40
TGM2 P21980 3/20 0.40
TGM1 P22735 3/20 0.40
TGM3 Q08188 1/20 0.40
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL29992332 1.00 GPR119 (0.46) GPR119ALDH2NPC1RAB9AMMP2
SCHEMBL22789619 0.93 GPR119 (0.46) GPR119ALDH2NPC1RAB9AMMP2
SCHEMBL22770498 0.86 GPR119 (0.46) GPR119NPC1RAB9AF13A1TGM2
SCHEMBL29992909 0.86 GPR119 (0.46) GPR119NPC1RAB9AF13A1TGM2
SCHEMBL22793060 0.85 GPR119 (0.52) GPR119
SCHEMBL22770286 0.85 MET (0.38)
SCHEMBL29506183 0.84 MEN1 (0.46) GPR119NPC1RAB9AALDH1A1
SCHEMBL21856129 0.84 MEN1 (0.46) GPR119NPC1RAB9AALDH1A1
SCHEMBL22792848 0.83 GPR119 (0.43) GPR119
SCHEMBL22792391 0.83 ESR2 (0.52) GPR119NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115969853-A Novel heterocyclic derivatives useful as SHP2 inhibitors 北京加科思新药研发有限公司 2023-04-18 CN disclosed
CN-115721648-A Novel heterocyclic derivatives useful as SHP2 inhibitors 北京加科思新药研发有限公司 2023-03-03 CN disclosed
US-20220388977-A1 SHP2 PHOSPHATASE ALLOSTERIC INHIBITOR BEIJING SHENOGEN PHARMA GROUP LTD. (CN) 2022-12-08 US disclosed
CN-112174935-B Heterocyclic derivatives useful as SHP2 inhibitors 北京加科思新药研发有限公司 2022-12-06 CN disclosed
CN-112409334-B Heterocyclic derivatives useful as SHP2 inhibitors 北京加科思新药研发有限公司 2022-12-02 CN disclosed
EP-3984999-A1 SHP2 PHOSPHATASE ALLOSTERIC INHIBITOR Beijing Shenogen Pharma Group Ltd. (CN) 2022-04-20 EP disclosed
US-10988466-B2 Heterocyclic derivatives useful as SHP2 inhibitors JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2021-04-27 US disclosed
CN-112409334-A Novel heterocyclic derivatives useful as SHP2 inhibitors 北京加科思新药研发有限公司 2021-02-26 CN disclosed
CN-112174935-A Novel heterocyclic derivatives useful as SHP2 inhibitors 北京加科思新药研发有限公司 2021-01-05 CN disclosed
WO-2020249079-A1 SHP2 PHOSPHATASE ALLOSTERIC INHIBITOR 北京盛诺基医药科技股份有限公司 2020-12-17 WO disclosed
US-20200392128-A1 NOVEL HETEROCYCLIC DERIVATIVES USEFUL AS SHP2 INHIBITORS JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2020-12-17 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 (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-20220388977-A1 SHP2 PHOSPHATASE ALLOSTERIC INHIBITOR PTPN1, PTPN5, PTPN18 GPR119 595/4885ALDH2 4228/4885NPC1 4146/4885
US-10988466-B2 Heterocyclic derivatives useful as SHP2 inhibitors PTPRJ, PTPN5, PTPN1 GPR119 1856/4885ALDH2 3157/4885NPC1 2881/4885
US-20200392128-A1 NOVEL HETEROCYCLIC DERIVATIVES USEFUL AS SHP2 INHIBITORS PTPN5, PTPN1, PTPRJ GPR119 1764/4885ALDH2 3237/4885NPC1 3191/4885

“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.