SCHEMBL20739435

SCHEMBL20739435

CN[C@@H](CC(C)(C)C)C(=O)OC

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ MMP8 P22894 1/20 0.34
▸ TAS1R3 Q7RTX0 3/20 0.33
▸ TAS1R1 Q7RTX1 3/20 0.33
▸ GRN P28799 1/20 0.33
▸ SORT1 Q99523 1/20 0.33
▸ CTSL P07711 1/20 0.33
▸ CTSB P07858 1/20 0.33
▸ CTSS P25774 1/20 0.33
▸ BIRC2 Q13490 3/20 0.32
▸ POLB P06746 1/20 0.32
▸ MME P08473 1/20 0.32
▸ FOLH1 Q04609 1/20 0.31
▸ TGFBR1 P36897 1/20 0.31

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
SCHEMBL18790949 0.83 BIRC2 (0.48) SMN1; SMN2TAS1R3TAS1R1BIRC2POLB
SCHEMBL19088625 0.83 CA2 (0.37) CA1CA2SMN1; SMN2MMP8TAS1R3
SCHEMBL19881233 0.80 ACHE (0.33) MMP8GRNSORT1CTSLCTSB
SCHEMBL23730611 0.79 SMN1; SMN2 (0.39) CA1CA2SMN1; SMN2TAS1R3TAS1R1
Hydrochloric Acid SCHEMBL30878180 0.79 NOS3 (0.34) CA1CA2SMN1; SMN2TAS1R3TAS1R1
SCHEMBL27695095 0.78 TSHR (0.35) CA1CA2SMN1; SMN2GRNSORT1
SCHEMBL27695094 0.78 TSHR (0.35) CA1CA2SMN1; SMN2GRNSORT1
Trifluoroacetic Acid SCHEMBL30916036 0.77 PDF (0.37) CA1CA2CTSBCTSSPOLB
SCHEMBL7143337 0.77 GRN (0.46) SMN1; SMN2GRNSORT1CTSLCTSB
SCHEMBL1527346 0.77 GRN (0.46) SMN1; SMN2GRNSORT1CTSLCTSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10912750-B2 Modulators of Sestrin-GATOR2 interaction and uses thereof NAVITOR PHARMACEUTICALS, INC. (US) 2021-02-09 — — US disclosed
US-10414782-B2 Modulators of sestrin-GATOR2 interaction and uses thereof NAVITOR PHARMACEUTICALS, INC. (US) 2019-09-17 — — US disclosed
US-20190048029-A1 MODULATORS OF SESTRIN-GATOR2 INTERACTION AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. 2019-02-14 — — 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 (3 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-10912750-B2 Modulators of Sestrin-GATOR2 interaction and uses thereof GATD3, GABRR2, GABRR3 CA1 4490/4885CA2 3398/4885SMN1; SMN2 3983/4885
US-20190048029-A1 MODULATORS OF SESTRIN-GATOR2 INTERACTION AND USES THEREOF GATD3, GABRR2, GABRR3 CA1 4490/4885CA2 3398/4885SMN1; SMN2 3983/4885
US-10414782-B2 Modulators of sestrin-GATOR2 interaction and uses thereof GATD3, GABRR2, GABRR3 CA1 4490/4885CA2 3398/4885SMN1; SMN2 3983/4885

“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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