SCHEMBL16925035

SCHEMBL16925035

CC(C)(C)OC(=O)N1CCC2(CC1)C[C@@H](O)C[C@H]2N[S@+]([O-])C(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.41
GPR119 Q8TDV5 2/20 0.40
NAMPT P43490 16/20 0.39
EPHX1 P07099 1/20 0.38
CYP2C9 P11712 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
SCHEMBL21631796 1.00 EPHX2 (0.41) EPHX2GPR119NAMPTEPHX1CYP2C9
SCHEMBL29455961 1.00 EPHX2 (0.41) EPHX2GPR119NAMPTEPHX1CYP2C9
SCHEMBL30531742 1.00 EPHX2 (0.41) EPHX2GPR119NAMPTEPHX1CYP2C9
SCHEMBL30158231 1.00 EPHX2 (0.41) EPHX2GPR119NAMPTEPHX1CYP2C9
SCHEMBL31184218 1.00 EPHX2 (0.41) EPHX2GPR119NAMPTEPHX1CYP2C9
SCHEMBL22084448 1.00 EPHX2 (0.41) EPHX2GPR119NAMPTEPHX1CYP2C9
SCHEMBL20337452 1.00 EPHX2 (0.41) EPHX2GPR119NAMPTEPHX1CYP2C9
SCHEMBL16925230 1.00 EPHX2 (0.41) EPHX2GPR119NAMPTEPHX1CYP2C9
SCHEMBL21631735 0.91 EPHX2 (0.43) EPHX2GPR119NAMPTEPHX1
SCHEMBL21064222 0.91 EPHX2 (0.43) EPHX2GPR119NAMPTEPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250066357-A1 PROTEIN TYROSINE PHOSPHATASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2025-02-27 US disclosed
US-12187721-B2 Protein tyrosine phosphatase inhibitors ARRAY BIOPHARMA INC. (US) 2025-01-07 US disclosed
EP-3867238-B1 PROTEIN TYROSINE PHOSPHATASE INHIBITORS ARRAY BIOPHARMA INC (US) 2023-06-07 EP disclosed
US-11661401-B2 2,5-disubstituted 3-methyl pyrazines and 2,5,6-trisubstituted 3-methyl pyrazines as allosteric SHP2 inhibitors Revolution Medicines, Inc. (US) 2023-05-30 US disclosed
US-11661401-B2 2,5-disubstituted 3-methyl pyrazines and 2,5,6-trisubstituted 3-methyl pyrazines as allosteric SHP2 inhibitors Revolution Medicines, Inc. (US) 2023-05-30 US disclosed
US-20230049719-A1 PYRAZOLO[3,4-B]PYRAZINE SHP2 PHOSPHATASE INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2023-02-16 US disclosed
US-20220396585-A1 N-AZASPIROCYCLOALKANE SUBSTITUTED N-HETEROARYL COMPOUNDS AND COMPOSITIONS FOR INHIBITING THE ACTIVITY OF SHP2 NOVARTIS AG (CH) 2022-12-15 US disclosed
US-20210371429-A1 N-AZASPIROCYCLOALKANE SUBSTITUTED N-HETEROARYL COMPOUNDS AND COMPOSITIONS FOR INHIBITING THE ACTIVITY OF SHP2 NOVARTIS AG (CH) 2021-12-02 US disclosed
US-20210309663-A1 COMPOUNDS AND COMPOSITIONS FOR INHBITING THE ACTIVITY OF SHP2 NOVARTIS AG (CH) 2021-10-07 US disclosed
US-10975080-B2 Compounds and compositions for inhibiting the activity of SHP2 NOVARTIS AG (CH) 2021-04-13 US disclosed
US-20180186770-A1 COMPOUNDS AND COMPOSITIONS FOR INHIBITING THE ACTIVITY OF SHP2 NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH, INC. 2018-07-05 US disclosed
US-20180186770-A1 COMPOUNDS AND COMPOSITIONS FOR INHIBITING THE ACTIVITY OF SHP2 NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH, INC. 2018-07-05 US disclosed
US-9938295-B2 2018-04-10 US disclosed
US-9938295-B2 2018-04-10 US disclosed
US-20170015680-A1 N-AZASPIROCYCLOALKANE SUBSTITUTED N-HETEROARYL COMPOUNDS AND COMPOSITIONS FOR INHIBITING THE ACTIVITY OF SHP2 NOVARTIS AG (CH) 2017-01-19 US disclosed
US-20170015680-A1 N-AZASPIROCYCLOALKANE SUBSTITUTED N-HETEROARYL COMPOUNDS AND COMPOSITIONS FOR INHIBITING THE ACTIVITY OF SHP2 NOVARTIS AG (CH) 2017-01-19 US disclosed
WO-2016203406-A1 COMPOUNDS AND COMPOSITIONS FOR INHIBITING THE ACTIVITY OF SHP2 NOVARTIS AG (CH) 2016-12-22 WO disclosed
WO-2016203405-A1 COMPOUNDS AND COMPOSITIONS FOR INHIBITING THE ACTIVITY OF SHP2 NOVARTIS AG (CH) 2016-12-22 WO disclosed
WO-2016203404-A1 COMPOUNDS AND COMPOSITIONS FOR INHIBITING THE ACTIVITY OF SHP2 NOVARTIS AG (CH) 2016-12-22 WO disclosed
WO-2015107495-A1 N-AZASPIROCYCLOALKANE SUBSTITUTED N-HETEROARYL COMPOUNDS AND COMPOSITIONS FOR INHIBITING THE ACTIVITY OF SHP2 NOVARTIS AG (CH) 2015-07-23 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 (10 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-11661401-B2 2,5-disubstituted 3-methyl pyrazines and 2,5,6-trisubstituted 3-methyl pyrazines as allosteric SHP2 inhibitors PTPN5, PTPN22, PTPN2 EPHX2 4267/4885GPR119 2252/4885NAMPT 2149/4885
US-20250066357-A1 PROTEIN TYROSINE PHOSPHATASE INHIBITORS PPM1A, PPM1F, PPP5C EPHX2 3334/4885GPR119 2596/4885NAMPT 1472/4885
US-12187721-B2 Protein tyrosine phosphatase inhibitors PPM1A, PTP4A1, PPP5C EPHX2 3119/4885GPR119 2614/4885NAMPT 1714/4885
US-10975080-B2 Compounds and compositions for inhibiting the activity of SHP2 PTPN1, PTPN3, PTPN5 EPHX2 2649/4885GPR119 579/4885NAMPT 4321/4885
US-20180186770-A1 COMPOUNDS AND COMPOSITIONS FOR INHIBITING THE ACTIVITY OF SHP2 PTPN1, PTPN3, PTPN2 EPHX2 2716/4885GPR119 630/4885NAMPT 4208/4885
US-20220396585-A1 N-AZASPIROCYCLOALKANE SUBSTITUTED N-HETEROARYL COMPOUNDS AND COMPOSITIONS FOR INHIBITING THE ACTIVITY OF SHP2 PTPN5, PTPN1, PTPN7 EPHX2 1545/4885GPR119 1069/4885NAMPT 2841/4885
US-20210371429-A1 N-AZASPIROCYCLOALKANE SUBSTITUTED N-HETEROARYL COMPOUNDS AND COMPOSITIONS FOR INHIBITING THE ACTIVITY OF SHP2 PTPN5, PTPN1, PTPN7 EPHX2 1545/4885GPR119 1069/4885NAMPT 2841/4885
US-20210309663-A1 COMPOUNDS AND COMPOSITIONS FOR INHBITING THE ACTIVITY OF SHP2 PTPN1, PTPN3, PTPN5 EPHX2 2445/4885GPR119 604/4885NAMPT 2278/4885
US-20170015680-A1 N-AZASPIROCYCLOALKANE SUBSTITUTED N-HETEROARYL COMPOUNDS AND COMPOSITIONS FOR INHIBITING THE ACTIVITY OF SHP2 PTPN5, PTPN1, PTPN7 EPHX2 1545/4885GPR119 1069/4885NAMPT 2841/4885
US-20230049719-A1 PYRAZOLO[3,4-B]PYRAZINE SHP2 PHOSPHATASE INHIBITORS PTPN5, PTPRZ1, PTPN1 EPHX2 2960/4885GPR119 1866/4885NAMPT 1891/4885

“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.