SCHEMBL20337453

SCHEMBL20337453

CC1OCC2(CCN(C(=O)OC(C)(C)C)CC2)C1N[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
SCHEMBL16925343 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

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4317144-A1 HETEROCYCLE SUBSTITUTED KETONE DERIVATIVE, AND COMPOSITION AND MEDICINAL USE THEREOF Shanghai Haiyan Pharmaceutical Technology Co., Ltd. (CN) 2024-02-07 — — EP disclosed
US-20240025924-A1 HETEROCYCLE SUBSTITUTED KETONE DERIVATIVE, AND COMPOSITION AND MEDICINAL USE THEREOF SHANGHAI HAIYAN PHARMACEUTICAL TECHNOLOGY CO., LTD. (CN) 2024-01-25 — — US disclosed
EP-3310771-B1 COMPOUNDS AND COMPOSITIONS FOR INHIBITING THE ACTIVITY OF SHP2 NOVARTIS AG (CH) 2020-07-22 — — EP disclosed
EP-3310774-B1 COMPOUNDS AND COMPOSITIONS FOR INHIBITING THE ACTIVITY OF SHP2 NOVARTIS AG (CH) 2020-04-29 — — EP disclosed
US-10308660-B2 Compounds and compositions for inhibiting the activity of SHP2 NOVARTIS AG (CH) 2019-06-04 — — US disclosed
US-10287266-B2 Compounds and compositions for inhibiting the activity of SHP2 NOVARTIS AG (CH) 2019-05-14 — — US disclosed
US-20180251471-A1 COMPOUNDS AND COMPOSITIONS FOR INHIBITING THE ACTIVITY OF SHP2 NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH INC. 2018-09-06 — — 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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-20240025924-A1 HETEROCYCLE SUBSTITUTED KETONE DERIVATIVE, AND COMPOSITION AND MEDICINAL USE THEREOF BCKDK, CYP11B2, HSD17B7 USP2 4745/4885SMN1; SMN2 2421/4885GPR119 1235/4885
US-20180251471-A1 COMPOUNDS AND COMPOSITIONS FOR INHIBITING THE ACTIVITY OF SHP2 PTPN3, PTPN1, PTPN2 USP2 2277/4885SMN1; SMN2 1937/4885GPR119 716/4885
US-20180186770-A1 COMPOUNDS AND COMPOSITIONS FOR INHIBITING THE ACTIVITY OF SHP2 PTPN1, PTPN3, PTPN2 USP2 2147/4885SMN1; SMN2 2344/4885GPR119 630/4885
US-10308660-B2 Compounds and compositions for inhibiting the activity of SHP2 PTPN3, PTPN1, PTPN2 USP2 2277/4885SMN1; SMN2 1937/4885GPR119 716/4885
US-10287266-B2 Compounds and compositions for inhibiting the activity of SHP2 PTPN1, PTPN3, PTPN2 USP2 2225/4885SMN1; SMN2 2360/4885GPR119 650/4885

“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.

Send feedback