SCHEMBL10146308

SCHEMBL10146308

CCC(C)(C)c1cc(C(=O)O)on1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.50
MAPK14 Q16539 2/20 0.42
GAA P10253 1/20 0.40
POLB P06746 2/20 0.35
RAB9A P51151 2/20 0.35
NPC1 O15118 1/20 0.35
CYP2C9 P11712 1/20 0.35
ALDH1A1 P00352 1/20 0.34
PTPN1 P18031 1/20 0.34
MAPK13 O15264 1/20 0.34
MAPK12 P53778 1/20 0.34
MAPK11 Q15759 1/20 0.34
CNR2 P34972 6/20 0.33
CNR1 P21554 4/20 0.33
APEX1 P27695 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HMGCR P04035 1/20 0.33

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
SCHEMBL10146309 0.82 MAPK14 (0.43) MAPK14GAAPOLBRAB9ANPC1
SCHEMBL351579 0.82 HCAR2 (0.57) HCAR2MAPK14GAARAB9ANPC1
SCHEMBL352786 0.79 HCAR2 (0.42) HCAR2GAAALDH1A1PTPN1CNR2
SCHEMBL2565757 0.74 HCAR2 (0.52) HCAR2MAPK14GAAPOLBALDH1A1
SCHEMBL27876364 0.73 HCAR2 (0.50) HCAR2MAPK14GAAPOLBALDH1A1
SCHEMBL10104256 0.72 MAPK14 (0.38) MAPK14GAARAB9ANPC1ALDH1A1
SCHEMBL3805132 0.71 CNR2 (0.40) HCAR2MAPK14POLBALDH1A1CNR2
SCHEMBL13890431 0.71 MAPK14 (0.37) MAPK14SMN1; SMN2
SCHEMBL2676735 0.71 MAPK14 (0.37) MAPK14RAB9ANPC1ALDH1A1CNR2
SCHEMBL597064 0.71 HCAR2 (0.57) HCAR2GAAPOLBRAB9ANPC1

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-20120015988-A1 Sulfone Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-01-19 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 (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-20120015988-A1 Sulfone Compounds Which Modulate The CB2 Receptor CNR2, CNR1, TRPV1 HCAR2 51/4885MAPK14 1347/4885GAA 4478/4885

“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.