SCHEMBL20337452

SCHEMBL20337452

CC(C)(C)OC(=O)N1CCC2(CC1)CC(O)CC2N[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
SCHEMBL16925230 1.00 EPHX2 (0.41) EPHX2GPR119NAMPTEPHX1CYP2C9
SCHEMBL16925035 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 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 EPHX2 2323/4885GPR119 716/4885NAMPT 4370/4885
US-20180186770-A1 COMPOUNDS AND COMPOSITIONS FOR INHIBITING THE ACTIVITY OF SHP2 PTPN1, PTPN3, PTPN2 EPHX2 2716/4885GPR119 630/4885NAMPT 4208/4885
US-10308660-B2 Compounds and compositions for inhibiting the activity of SHP2 PTPN3, PTPN1, PTPN2 EPHX2 2323/4885GPR119 716/4885NAMPT 4370/4885
US-10287266-B2 Compounds and compositions for inhibiting the activity of SHP2 PTPN1, PTPN3, PTPN2 EPHX2 2682/4885GPR119 650/4885NAMPT 4247/4885

“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.