SCHEMBL9891665

SCHEMBL9891665

C=P(Cc1cnc(C)s1)(OCC)OCC

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.36
SLC6A3 Q01959 1/20 0.33
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
OPRM1 P35372 1/20 0.30
OPRD1 P41143 1/20 0.30
KMT2A Q03164 1/20 0.30
HCAR2 Q8TDS4 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
SCHEMBL9891666 0.83 SMN1; SMN2 (0.49) SMN1; SMN2KDM4EALDH1A1
SCHEMBL1107406 0.80 MAPT (0.39) SMN1; SMN2SLC6A3KDM4EMEN1ALDH1A1
SCHEMBL13771831 0.79 PPARD (0.38) SMN1; SMN2SLC6A3KDM4EMEN1ALDH1A1
SCHEMBL12742377 0.70 CA1 (0.40) SMN1; SMN2ALDH1A1
SCHEMBL1398205 0.69
SCHEMBL243107 0.68
SCHEMBL128429 0.68
SCHEMBL13141021 0.67
SCHEMBL18673935 0.67 SLC6A3 (0.43) SMN1; SMN2SLC6A3KDM4EMEN1ALDH1A1
SCHEMBL13142435 0.67 SLC6A3 (0.43) SLC6A3ALDH1A1HCAR2

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-20120142636-A1 NOVEL GLUCOKINASE ACTIVATORS AND METHODS OF USING SAME BRISTOL-MYERS SQUIBB COMPANY 2012-06-07 US disclosed
US-20110118211-A1 NOVEL GLUCOKINASE ACTIVATORS AND METHODS OF USING SAME BRISTOL-MYERS SQUIBB COMPANY 2011-05-19 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-20110118211-A1 NOVEL GLUCOKINASE ACTIVATORS AND METHODS OF USING SAME GCKR, MPO, GCK SMN1; SMN2 4603/4885SLC6A3 2874/4885KDM4E 2426/4885
US-20120142636-A1 NOVEL GLUCOKINASE ACTIVATORS AND METHODS OF USING SAME GCKR, GCK, PCK1 SMN1; SMN2 4647/4885SLC6A3 2729/4885KDM4E 2019/4885

“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.