SCHEMBL2664261

SCHEMBL2664261

Cc1cc(Oc2ccc(S(C)(=O)=O)cc2)cc(Oc2ccc(S(C)(=O)=O)cc2)c1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.52
ALDH1A1 P00352 3/20 0.52
HTT P42858 5/20 0.51
TDP1 Q9NUW8 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
PTGS1 P23219 2/20 0.47
PTGS2 P35354 2/20 0.47
GCK P35557 7/20 0.46
LMNA P02545 2/20 0.46
SLC6A4 P31645 1/20 0.43

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
SCHEMBL2664271 0.88 PTGS2 (0.46) SMN1; SMN2ALDH1A1HTTTDP1L3MBTL1
SCHEMBL2664245 0.88 ENPP2 (0.48) SMN1; SMN2ALDH1A1HTTTDP1L3MBTL1
SCHEMBL13814624 0.86 HTT (0.63) SMN1; SMN2ALDH1A1HTTTDP1L3MBTL1
SCHEMBL2758531 0.86 HTT (0.63) SMN1; SMN2ALDH1A1HTTTDP1L3MBTL1
SCHEMBL11547843 0.85 HTT (0.58) SMN1; SMN2ALDH1A1HTTPTGS1PTGS2
SCHEMBL2664281 0.84 PTGS2 (0.49) SMN1; SMN2ALDH1A1HTTTDP1L3MBTL1
SCHEMBL2668246 0.83 MEN1 (0.50) SMN1; SMN2ALDH1A1HTTPTGS2GCK
SCHEMBL2664231 0.83 GCK (0.58) GCK
SCHEMBL17207939 0.82 HTT (0.67) SMN1; SMN2ALDH1A1HTTTDP1L3MBTL1
SCHEMBL17207945 0.82 HTT (0.67) SMN1; SMN2ALDH1A1HTTTDP1L3MBTL1

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-7812048-B2 Glucokinase activators and methods of using same BRISTOL-MYERS SQUIBB COMPANY (US) 2010-10-12 US disclosed
US-20090030046-A1 NOVEL GLUCOKINASE ACTIVATORS AND METHODS OF USING SAME BRISTOL-MYERS SQUIBB COMPANY 2009-01-29 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-20090030046-A1 NOVEL GLUCOKINASE ACTIVATORS AND METHODS OF USING SAME GCKR, GCK, HK1 SMN1; SMN2 3742/4885ALDH1A1 2844/4885HTT 1623/4885

“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.