SCHEMBL967737

SCHEMBL967737

COc1cc(C)ccc1S(=O)(=O)NC(=O)C=Cc1c(C)nn(C)c1-n1ccc2cc(F)ccc21

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 1/20 0.38
EDNRA P25101 1/20 0.38
PTGER3 P43115 14/20 0.37
MEP1B Q16820 1/20 0.36
HDAC8 Q9BY41 3/20 0.34
HDAC6 Q9UBN7 3/20 0.34
HDAC3 O15379 2/20 0.34
HDAC4 P56524 2/20 0.34
HDAC1 Q13547 2/20 0.34
HDAC7 Q8WUI4 2/20 0.34
HDAC2 Q92769 2/20 0.34
HDAC10 Q969S8 2/20 0.34
HDAC11 Q96DB2 2/20 0.34
HDAC9 Q9UKV0 2/20 0.34
HDAC5 Q9UQL6 2/20 0.34
ALPL P05186 1/20 0.34
PTGFR P43088 1/20 0.33
PTGER2 P43116 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
SCHEMBL967736 1.00 EDNRB (0.38) EDNRBEDNRAPTGER3MEP1BHDAC8
SCHEMBL961644 0.90 PTGER3 (0.36) PTGER3HDAC8HDAC6HDAC3HDAC4
SCHEMBL961641 0.90 PTGER3 (0.36) PTGER3HDAC8HDAC6HDAC3HDAC4
SCHEMBL5126177 0.83 HDAC1 (0.37) PTGER3HDAC8HDAC6HDAC3HDAC4
SCHEMBL5126172 0.83 HDAC1 (0.37) PTGER3HDAC8HDAC6HDAC3HDAC4
SCHEMBL964805 0.81 MEP1B (0.35) EDNRBEDNRAPTGER3MEP1BALPL
SCHEMBL964807 0.81 MEP1B (0.35) EDNRBEDNRAPTGER3MEP1BALPL
SCHEMBL963948 0.78 GAA (0.36) HDAC8HDAC6HDAC3HDAC4HDAC1
SCHEMBL963946 0.78 GAA (0.36) HDAC8HDAC6HDAC3HDAC4HDAC1
SCHEMBL964506 0.78 HDAC3 (0.33) PTGER3HDAC8HDAC6HDAC3HDAC4

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 EDNRB 945/4885EDNRA 1159/4885PTGER3 2949/4885
US-20110009384-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA PPARA, PPARD, PPARG EDNRB 661/4885EDNRA 544/4885PTGER3 456/4885

“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.