SCHEMBL16925343

SCHEMBL16925343

C[C@H]1OCC2(CCN(C(=O)OC(C)(C)C)CC2)[C@@H]1N[S@+]([O-])C(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ USP2 O75604 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ GPR119 Q8TDV5 3/20 0.36
▸ EPHX2 P34913 1/20 0.36
▸ NAMPT P43490 8/20 0.35
▸ RECQL P46063 1/20 0.34
▸ EPHX1 P07099 1/20 0.34
▸ HPGD P15428 1/20 0.33

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
SCHEMBL16925032 1.00 USP2 (0.37) USP2SMN1; SMN2GPR119EPHX2NAMPT
SCHEMBL30197578 1.00 USP2 (0.37) USP2SMN1; SMN2GPR119EPHX2NAMPT
SCHEMBL30197599 1.00 USP2 (0.37) USP2SMN1; SMN2GPR119EPHX2NAMPT
SCHEMBL31184432 1.00 USP2 (0.37) USP2SMN1; SMN2GPR119EPHX2NAMPT
SCHEMBL18330203 1.00 USP2 (0.37) USP2SMN1; SMN2GPR119EPHX2NAMPT
SCHEMBL30727455 1.00 USP2 (0.37) USP2SMN1; SMN2GPR119EPHX2NAMPT
SCHEMBL29760900 1.00 USP2 (0.37) USP2SMN1; SMN2GPR119EPHX2NAMPT
SCHEMBL20571735 1.00 USP2 (0.37) USP2SMN1; SMN2GPR119EPHX2NAMPT
SCHEMBL22084450 1.00 USP2 (0.37) USP2SMN1; SMN2GPR119EPHX2NAMPT
SCHEMBL20337453 1.00 USP2 (0.37) USP2SMN1; SMN2GPR119EPHX2NAMPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-10968235-B2 N-azaspirocycloalkane substituted N-heteroaryl compounds and compositions for inhibiting the activity of SHP2 NOVARTIS AG (CH) 2021-04-06 — — US disclosed
US-20200181168-A1 N-AZASPIROCYCLOALKANE SUBSTITUTED N-HETEROARYL COMPOUNDS AND COMPOSITIONS FOR INHIBITING THE ACTIVITY OF SHP2 NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH, INC. 2020-06-11 — — US disclosed
US-10308660-B2 Compounds and compositions for inhibiting the activity of SHP2 NOVARTIS AG (CH) 2019-06-04 — — US disclosed
US-20180201623-A1 N-AZASPIROCYCLOALKANE SUBSTITUTED N-HETEROARYL COMPOUNDS AND COMPOSITIONS FOR INHIBITING THE ACTIVITY OF SHP2 NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH INC. 2018-07-19 — — 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-2016203405-A1 COMPOUNDS AND COMPOSITIONS FOR INHIBITING THE ACTIVITY OF SHP2 NOVARTIS AG (CH) 2016-12-22 — — WO disclosed
WO-2016203406-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 (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-20180201623-A1 N-AZASPIROCYCLOALKANE SUBSTITUTED N-HETEROARYL COMPOUNDS AND COMPOSITIONS FOR INHIBITING THE ACTIVITY OF SHP2 PTPN5, PTPN1, PTPN7 USP2 1924/4885SMN1; SMN2 2598/4885GPR119 1069/4885
US-10308660-B2 Compounds and compositions for inhibiting the activity of SHP2 PTPN3, PTPN1, PTPN2 USP2 2277/4885SMN1; SMN2 1937/4885GPR119 716/4885
US-20200181168-A1 N-AZASPIROCYCLOALKANE SUBSTITUTED N-HETEROARYL COMPOUNDS AND COMPOSITIONS FOR INHIBITING THE ACTIVITY OF SHP2 PTPN5, PTPN1, PTPN7 USP2 1924/4885SMN1; SMN2 2598/4885GPR119 1069/4885
US-20220396585-A1 N-AZASPIROCYCLOALKANE SUBSTITUTED N-HETEROARYL COMPOUNDS AND COMPOSITIONS FOR INHIBITING THE ACTIVITY OF SHP2 PTPN5, PTPN1, PTPN7 USP2 1924/4885SMN1; SMN2 2598/4885GPR119 1069/4885
US-10968235-B2 N-azaspirocycloalkane substituted N-heteroaryl compounds and compositions for inhibiting the activity of SHP2 PTPN5, PTPN1, PTPN7 USP2 1924/4885SMN1; SMN2 2598/4885GPR119 1069/4885
US-20170015680-A1 N-AZASPIROCYCLOALKANE SUBSTITUTED N-HETEROARYL COMPOUNDS AND COMPOSITIONS FOR INHIBITING THE ACTIVITY OF SHP2 PTPN5, PTPN1, PTPN7 USP2 1924/4885SMN1; SMN2 2598/4885GPR119 1069/4885

“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.

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