SCHEMBL4135236

SCHEMBL4135236

Cc1c(C(=O)O)ccc(-c2cccc(S(N)(=O)=O)c2)c1C

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 1/20 0.51
CA1 P00915 7/20 0.46
CA2 P00918 7/20 0.46
CA9 Q16790 6/20 0.46
CA13 Q8N1Q1 2/20 0.46
CA12 O43570 4/20 0.45
MAOA P21397 1/20 0.45
MAOB P27338 1/20 0.45
GLO1 Q04760 1/20 0.45
BTK Q06187 1/20 0.45
BRD4 O60885 1/20 0.44
LRRK2 Q5S007 2/20 0.42
LMNA P02545 1/20 0.42
MCL1 Q07820 2/20 0.42
PFKFB3 Q16875 1/20 0.41
MAPT P10636 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
SCHEMBL4140940 0.82 CA9 (0.51) IKBKBCA1CA2CA9CA12
SCHEMBL9599411 0.78 FOLH1 (0.55) LMNA
SCHEMBL6974190 0.77 ALDH1A1 (0.49)
SCHEMBL4435170 0.76 CA2 (0.55) IKBKBCA1CA2CA9CA13
SCHEMBL28805179 0.75 PTGDR2 (0.44) BTKBRD4MCL1PFKFB3
SCHEMBL25598368 0.74 RXRA (0.54) CA1CA2CA9MAPT
SCHEMBL28078718 0.72 IKBKB (0.65) IKBKBCA1CA2CA9CA12
SCHEMBL28078565 0.72 IKBKB (0.65) IKBKBCA1CA2CA9CA12
SCHEMBL15606122 0.72 AKR1C3 (0.56) CA1CA2CA9CA12
SCHEMBL4733938 0.72 CA2 (0.64) IKBKBCA1CA2CA9CA13

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-20090023741-A1 ARYL/HETARYLAMIDES AS MODULATORS OF THE EP2 RECEPTOR BAYER SCHERING PHARMA AG (DE) 2009-01-22 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-20090023741-A1 ARYL/HETARYLAMIDES AS MODULATORS OF THE EP2 RECEPTOR PTGER2, PTGER1, PTGDR2 IKBKB 1619/4885CA1 4884/4885CA2 4597/4885

“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.