SCHEMBL22084447

SCHEMBL22084447

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

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 15/20 0.37
▸ EPHX2 P34913 1/20 0.36
▸ GPR119 Q8TDV5 2/20 0.35
▸ USP2 O75604 1/20 0.33
▸ SMN1; SMN2 Q16637 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
SCHEMBL30158158 1.00 NAMPT (0.37) NAMPTEPHX2GPR119USP2SMN1; SMN2
SCHEMBL16925392 1.00 NAMPT (0.37) NAMPTEPHX2GPR119USP2SMN1; SMN2
SCHEMBL30197800 1.00 NAMPT (0.37) NAMPTEPHX2GPR119USP2SMN1; SMN2
SCHEMBL19641298 1.00 NAMPT (0.37) NAMPTEPHX2GPR119USP2SMN1; SMN2
SCHEMBL21918484 1.00 NAMPT (0.37) NAMPTEPHX2GPR119USP2SMN1; SMN2
SCHEMBL29467488 1.00 NAMPT (0.37) NAMPTEPHX2GPR119USP2SMN1; SMN2
SCHEMBL18392338 1.00 NAMPT (0.37) NAMPTEPHX2GPR119USP2SMN1; SMN2
SCHEMBL16925331 1.00 NAMPT (0.37) NAMPTEPHX2GPR119USP2SMN1; SMN2
SCHEMBL21952182 0.89 PPM1D (0.32) —
SCHEMBL21856128 0.89 PPM1D (0.32) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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

For each of this compound's patents that has machine-readable text (2 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-20200181168-A1 N-AZASPIROCYCLOALKANE SUBSTITUTED N-HETEROARYL COMPOUNDS AND COMPOSITIONS FOR INHIBITING THE ACTIVITY OF SHP2 PTPN5, PTPN1, PTPN7 NAMPT 2841/4885EPHX2 1545/4885GPR119 1069/4885
US-10968235-B2 N-azaspirocycloalkane substituted N-heteroaryl compounds and compositions for inhibiting the activity of SHP2 PTPN5, PTPN1, PTPN7 NAMPT 2841/4885EPHX2 1545/4885GPR119 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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