SCHEMBL20337394

SCHEMBL20337394

CC(C)(C)OC(=O)N1CCC2(CCC(CO)/C2=N\[S+]([O-])C(C)(C)C)CC1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ GPR119 Q8TDV5 8/20 0.39
▸ DDB1 Q16531 1/20 0.38
▸ CRBN Q96SW2 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ THRB P10828 1/20 0.36
▸ NR1H2 P55055 1/20 0.36
▸ HPGD P15428 1/20 0.35
▸ USP2 O75604 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ RECQL P46063 1/20 0.34

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
SCHEMBL31184216 1.00 GPR119 (0.39) GPR119DDB1CRBNKDM4EMAPT
SCHEMBL20337395 1.00 GPR119 (0.39) GPR119DDB1CRBNKDM4EMAPT
SCHEMBL20337397 1.00 GPR119 (0.39) GPR119DDB1CRBNKDM4EMAPT
SCHEMBL31336522 0.79 USP2 (0.38) GPR119DDB1CRBNKDM4EMAPT
SCHEMBL29366691 0.79 USP2 (0.38) GPR119DDB1CRBNKDM4EMAPT
SCHEMBL24013334 0.78 USP2 (0.36) GPR119KDM4EMAPTTHRBHPGD
SCHEMBL5895894 0.78 DDB1 (0.47) GPR119DDB1CRBNKDM4EMAPT
SCHEMBL20337484 0.77 USP2 (0.37) GPR119DDB1CRBNKDM4EMAPT
SCHEMBL31184416 0.77 USP2 (0.37) GPR119DDB1CRBNKDM4EMAPT
SCHEMBL29959213 0.77 USP2 (0.37) GPR119DDB1CRBNKDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20180251471-A1 COMPOUNDS AND COMPOSITIONS FOR INHIBITING THE ACTIVITY OF SHP2 PTPN3, PTPN1, PTPN2 GPR119 716/4885DDB1 2721/4885CRBN 308/4885
US-20180186770-A1 COMPOUNDS AND COMPOSITIONS FOR INHIBITING THE ACTIVITY OF SHP2 PTPN1, PTPN3, PTPN2 GPR119 630/4885DDB1 2896/4885CRBN 398/4885
US-10308660-B2 Compounds and compositions for inhibiting the activity of SHP2 PTPN3, PTPN1, PTPN2 GPR119 716/4885DDB1 2721/4885CRBN 308/4885
US-10287266-B2 Compounds and compositions for inhibiting the activity of SHP2 PTPN1, PTPN3, PTPN2 GPR119 650/4885DDB1 2778/4885CRBN 323/4885

“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