SCHEMBL9891693

SCHEMBL9891693

CC(=O)c1cc(Oc2ccc(S(C)(=O)=O)cc2)cc(C(=O)O)c1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
MAPT P10636 1/20 0.47
HPGD P15428 1/20 0.47
RAB9A P51151 1/20 0.47
PTGS2 P35354 1/20 0.46
POLB P06746 2/20 0.46
APEX1 P27695 1/20 0.46
CTDSP1 Q9GZU7 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
GCK P35557 8/20 0.46
ALDH1A1 P00352 2/20 0.43
HAO1 Q9UJM8 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
GFER P55789 1/20 0.43
AKR1C3 P42330 1/20 0.41

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
SCHEMBL1107719 0.91 MEN1 (0.58) MEN1KMT2APTGS2POLBAPEX1
SCHEMBL2664258 0.91 MAPT (0.53) MEN1KMT2AMAPTHPGDRAB9A
SCHEMBL2668846 0.86 PTGS2 (0.49) MEN1KMT2APTGS2POLBAPEX1
SCHEMBL12742979 0.86 PTGS2 (0.46) MAPTHPGDRAB9APTGS2POLB
SCHEMBL12594254 0.85 MAPT (0.47) MEN1KMT2AMAPTHPGDRAB9A
SCHEMBL2654925 0.85 MEN1 (0.49) MEN1KMT2APTGS2POLBAPEX1
SCHEMBL1107611 0.85 MEN1 (0.52) MEN1KMT2APTGS2POLBAPEX1
SCHEMBL2664242 0.85 MAPT (0.47) MEN1KMT2AMAPTHPGDRAB9A
SCHEMBL1140769 0.83 MEN1 (0.50) MEN1KMT2APTGS2POLBAPEX1
SCHEMBL10949996 0.82 MAPT (0.70) MEN1KMT2AMAPTHPGDRAB9A

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 1 patent. 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

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-20120142636-A1 NOVEL GLUCOKINASE ACTIVATORS AND METHODS OF USING SAME GCKR, GCK, PCK1 MEN1 3412/4885KMT2A 2260/4885MAPT 4446/4885

“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.