SCHEMBL2664281

SCHEMBL2664281

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

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 7/20 0.49
PTGS1 P23219 4/20 0.49
S1PR2 O95136 2/20 0.45
EPAS1 Q99814 1/20 0.43
NR1H2 P55055 1/20 0.42
NR1H3 Q13133 1/20 0.42
HTT P42858 3/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
LMNA P02545 2/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
ALDH1A1 P00352 1/20 0.41
IDO1 P14902 1/20 0.40
TDO2 P48775 1/20 0.40

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
SCHEMBL2664261 0.84 SMN1; SMN2 (0.52) PTGS2PTGS1HTTTDP1L3MBTL1
SCHEMBL9071200 0.84 PTGS2 (0.46) PTGS2PTGS1S1PR2NR1H2NR1H3
SCHEMBL12929412 0.82 ALDH1A1 (0.50) HTTTDP1L3MBTL1LMNAPOLB
SCHEMBL7990329 0.82 PTGS2 (0.57) PTGS2PTGS1CYP11B1CYP11B2
SCHEMBL9071207 0.81 PTGS2 (0.43) PTGS2PTGS1S1PR2CYP11B1CYP11B2
SCHEMBL8941664 0.79 NR3C1 (0.53) PTGS2PTGS1NR1H2NR1H3HTT
SCHEMBL12173156 0.78 ALDH1A1 (0.70) TDP1L3MBTL1POLBMAPTSMN1; SMN2
SCHEMBL21958839 0.78 LMNA (0.46) L3MBTL1LMNASMN1; SMN2ALDH1A1
SCHEMBL24512621 0.78 ALDH1A1 (0.43) L3MBTL1LMNAPOLBSMN1; SMN2ALDH1A1
SCHEMBL2664245 0.77 ENPP2 (0.48) PTGS2PTGS1HTTTDP1L3MBTL1

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 3643/4885PTGS1 3025/4885S1PR2 2251/4885

“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.