SCHEMBL17273952

SCHEMBL17273952

CCC(CC)(c1cnc(N)s1)P(=O)(O)O

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ NOS1 P29475 1/20 0.36
▸ GRM8 O00222 1/20 0.35
▸ GRM4 Q14833 1/20 0.35
▸ TSHR P16473 1/20 0.33
▸ GAA P10253 1/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ HPGD P15428 1/20 0.32
▸ ALOX15 P16050 1/20 0.32
▸ FDPS P14324 4/20 0.32
▸ NPC1 O15118 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ CSNK2A1 P68400 1/20 0.30

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
SCHEMBL17273959 0.82 FDPS (0.32) FDPS
SCHEMBL17274016 0.77 FDPS (0.35) FDPS
SCHEMBL5875565 0.74 NOS1 (0.42) SMN1; SMN2NOS1TSHRALDH1A1HPGD
SCHEMBL22736793 0.72 NOS1 (0.43) SMN1; SMN2NOS1TSHRALDH1A1HPGD
SCHEMBL17273956 0.70 CCNE2 (0.40) —
SCHEMBL1095997 0.68 GABRP (0.37) SMN1; SMN2NOS1
Hydrochloric Acid SCHEMBL1827565 0.68 GABRP (0.35) NOS1
SCHEMBL15733491 0.68 SMN1; SMN2 (0.36) SMN1; SMN2FDPSNPC1RAB9A
SCHEMBL3188826 0.67 NOS1 (0.46) SMN1; SMN2NOS1TSHRGAAALDH1A1
SCHEMBL19261343 0.67 NOS1 (0.38) SMN1; SMN2NOS1ALDH1A1HPGDALOX15

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-9453038-B2 Glucokinase activator compounds, compositions containing such compounds, and methods of treatment MERCK SHARP & DOHME CORP. (US) 2016-09-27 — — US disclosed
US-20150336991-A1 NOVEL GLUCOKINASE ACTIVATOR COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS, AND METHODS OF TREATMENT MERCK SHARP & DOHME CORP. (US) 2015-11-26 — — 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 (1 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-20150336991-A1 NOVEL GLUCOKINASE ACTIVATOR COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS, AND METHODS OF TREATMENT GCK, GCKR, HK2 SMN1; SMN2 3353/4885NOS1 2128/4885GRM8 2595/4885

“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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