SCHEMBL2664271

SCHEMBL2664271

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

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.46
HTT P42858 5/20 0.45
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
SMN1; SMN2 Q16637 4/20 0.44
ALDH1A1 P00352 3/20 0.44
LMNA P02545 3/20 0.43
EPAS1 Q99814 1/20 0.43
PTGS1 P23219 2/20 0.42
GCK P35557 3/20 0.39
SLC6A4 P31645 1/20 0.39

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
SCHEMBL11299704 0.89 HTT (0.58) HTTTDP1L3MBTL1SMN1; SMN2ALDH1A1
SCHEMBL2664261 0.88 SMN1; SMN2 (0.52) PTGS2HTTTDP1L3MBTL1SMN1; SMN2
SCHEMBL11301173 0.87 HTT (0.56) HTTTDP1L3MBTL1SMN1; SMN2ALDH1A1
SCHEMBL425840 0.84 XDH (0.46) PTGS2HTTSMN1; SMN2ALDH1A1LMNA
SCHEMBL423993 0.83 ENPP2 (0.47) PTGS2HTTSMN1; SMN2ALDH1A1LMNA
SCHEMBL11292839 0.82 PKM (0.51) HTTTDP1L3MBTL1SMN1; SMN2ALDH1A1
SCHEMBL10950514 0.81 PTGS2 (0.54) PTGS2HTTSMN1; SMN2ALDH1A1LMNA
SCHEMBL2664245 0.81 ENPP2 (0.48) PTGS2HTTTDP1L3MBTL1SMN1; SMN2
SCHEMBL9071204 0.79 MEN1 (0.46) PTGS2HTTSMN1; SMN2ALDH1A1LMNA
SCHEMBL11299866 0.79 HTT (0.51) HTTTDP1L3MBTL1SMN1; SMN2ALDH1A1

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 PTGS2 3643/4885HTT 1623/4885TDP1 2594/4885

“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.