SCHEMBL963785

SCHEMBL963785

O=C(O)N(Cc1ccccc1)S(=O)(=O)N1CCC2(CC1)OCCO2

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.55
TSHR P16473 3/20 0.51
ALDH1A1 P00352 8/20 0.50
SMN1; SMN2 Q16637 7/20 0.50
MAPT P10636 2/20 0.50
L3MBTL1 Q9Y468 3/20 0.47
GAA P10253 2/20 0.47
LMNA P02545 1/20 0.47
RECQL P46063 1/20 0.46
ESR2 Q92731 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
MAPK1 P28482 1/20 0.45
CASP1 P29466 1/20 0.45
CASP7 P55210 1/20 0.45
HSD17B10 Q99714 1/20 0.45
HPGD P15428 1/20 0.45

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
SCHEMBL962782 0.82 LMNA (0.54) POLBTSHRSMN1; SMN2MAPTL3MBTL1
SCHEMBL16733078 0.80 TSHR (0.51) POLBTSHRALDH1A1L3MBTL1GAA
SCHEMBL966736 0.79 HPGD (0.54) POLBTSHRALDH1A1L3MBTL1MEN1
SCHEMBL6801072 0.73 RORC (0.47) POLBTSHRHPGDTP53
SCHEMBL6154077 0.71 POLB (1.00) POLBTSHRALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL15227737 0.70 POLB (0.51) POLBTSHRALDH1A1MAPTL3MBTL1
SCHEMBL21084461 0.69 ALDH1A1 (0.52) POLBALDH1A1MAPTL3MBTL1GAA
SCHEMBL2081641 0.68 MEN1 (0.66) POLBTSHRALDH1A1SMN1; SMN2MAPT
SCHEMBL5517548 0.68 MEN1 (0.60) POLBTSHRALDH1A1SMN1; SMN2MAPT
SCHEMBL17459877 0.68 LMNA (0.44) POLBTSHRALDH1A1SMN1; SMN2MAPT

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-20110009384-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA TAKEDA PHARMACEUTICAL COMPANY LIMITED 2011-01-13 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-20110009384-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA PPARA, PPARD, PPARG POLB 1580/4885TSHR 237/4885ALDH1A1 821/4885

“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.