SCHEMBL963031

SCHEMBL963031

Cc1ccc(S(=O)(=O)NC(=O)C=Cc2c(C)nn(C)c2-n2ccc3cc(Cl)cnc32)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP3 O14638 2/20 0.43
ENPP1 P22413 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.39
ALDH1A1 P00352 1/20 0.39
PTGS2 P35354 1/20 0.36
HDAC4 P56524 4/20 0.35
HDAC1 Q13547 4/20 0.35
HDAC8 Q9BY41 3/20 0.35
HDAC3 O15379 2/20 0.35
HDAC7 Q8WUI4 2/20 0.35
HDAC2 Q92769 2/20 0.35
HDAC10 Q969S8 2/20 0.35
HDAC11 Q96DB2 2/20 0.35
HDAC6 Q9UBN7 2/20 0.35
HDAC9 Q9UKV0 2/20 0.35
HDAC5 Q9UQL6 2/20 0.35
FLT1 P17948 1/20 0.34
FLT4 P35916 1/20 0.34
KDR P35968 1/20 0.34
PTGER3 P43115 1/20 0.34

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
SCHEMBL963030 1.00 ENPP3 (0.43) ENPP3ENPP1SMN1; SMN2ALDH1A1PTGS2
SCHEMBL966761 0.89 SPR (0.33) ENPP3ENPP1SMN1; SMN2PTGER3MAPT
SCHEMBL966762 0.89 SPR (0.33) ENPP3ENPP1SMN1; SMN2PTGER3MAPT
SCHEMBL964805 0.86 MEP1B (0.35) ENPP3ENPP1SMN1; SMN2ALDH1A1PTGER3
SCHEMBL964807 0.86 MEP1B (0.35) ENPP3ENPP1SMN1; SMN2ALDH1A1PTGER3
SCHEMBL963421 0.86 FLT1 (0.41) SMN1; SMN2ALDH1A1HDAC4HDAC1HDAC8
SCHEMBL963423 0.86 FLT1 (0.41) SMN1; SMN2ALDH1A1HDAC4HDAC1HDAC8
SCHEMBL963249 0.85 ENPP3 (0.54) ENPP3ENPP1ALDH1A1PTGS2HDAC4
SCHEMBL963247 0.85 ENPP3 (0.54) ENPP3ENPP1ALDH1A1PTGS2HDAC4
SCHEMBL968581 0.85 PPARG (0.37) SMN1; SMN2ALDH1A1MAPTNR2F2HTT

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-20110009384-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA TAKEDA PHARMACEUTICAL COMPANY LIMITED 2011-01-13 US disclosed
US-20080194617-A1 Fused ring compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-08-14 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 (2 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-20080194617-A1 Fused ring compound SLC5A1, SLC5A2, GPR119 ENPP3 1924/4885ENPP1 1528/4885SMN1; SMN2 3745/4885
US-20110009384-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA PPARA, PPARD, PPARG ENPP3 2208/4885ENPP1 1752/4885SMN1; SMN2 4710/4885

“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.