SCHEMBL840501

SCHEMBL840501

CCOc1ccc(S(=O)(=O)N2CCC(n3cc(CC(=O)O)c4ccc(Cl)cc43)CC2)cc1

nearest known ligand 0.75

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 17/20 0.75
PKM P14618 1/20 0.48
KMT2A Q03164 1/20 0.48
ALDH1A1 P00352 1/20 0.47
GAA P10253 1/20 0.47
MAPK1 P28482 1/20 0.47
APOBEC3A P31941 1/20 0.47
CTDSP1 Q9GZU7 1/20 0.47
APOBEC3G Q9HC16 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47

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
SCHEMBL840640 0.95 PTGDR2 (0.81) PTGDR2PKMKMT2AALDH1A1GAA
SCHEMBL840616 0.93 PTGDR2 (0.75) PTGDR2PKMKMT2AALDH1A1GAA
SCHEMBL840451 0.89 PTGDR2 (0.91) PTGDR2
SCHEMBL840180 0.88 PTGDR2 (0.75) PTGDR2PKMKMT2A
SCHEMBL840174 0.88 PTGDR2 (0.71) PTGDR2PKMKMT2A
SCHEMBL10175793 0.86 PTGDR2 (1.00) PTGDR2PKMKMT2AALDH1A1GAA
SCHEMBL840823 0.84 PTGDR2 (1.00) PTGDR2
SCHEMBL840632 0.84 PTGDR2 (1.00) PTGDR2
SCHEMBL840641 0.82 PTGDR2 (0.71) PTGDR2
SCHEMBL841162 0.82 PTGDR2 (0.79) PTGDR2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8623903-B2 Indolecarboxylic acid derivative having PGD2 receptor antagonistic activity SHIONOGI & CO., LTD. (JP) 2014-01-07 US disclosed
US-20120142687-A1 INDOLECARBOXYLIC ACID DERIVATIVE HAVING PGD2 RECEPTOR ANTAGONISTIC ACTIVITY KUGIMIYA AKIRA (JP) 2012-06-07 US disclosed
US-8143285-B2 Indolecarboxylic acid derivative having PGD2 receptor antagonistic activity SHIONOGI & CO., LTD. (JP) 2012-03-27 US disclosed
US-8143285-B2 Indolecarboxylic acid derivative having PGD2 receptor antagonistic activity SHIONOGI & CO., LTD. (JP) 2012-03-27 US disclosed
US-20090105274-A1 Indolecarboxylic Acid Derivative Having PGD2 Receptor Antagonistic Activity SHIONOGI & CO., LTD. (JP) 2009-04-23 US disclosed
US-20090105274-A1 Indolecarboxylic Acid Derivative Having PGD2 Receptor Antagonistic Activity SHIONOGI & CO., LTD. (JP) 2009-04-23 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-20090105274-A1 Indolecarboxylic Acid Derivative Having PGD2 Receptor Antagonistic Activity PTGDR, CYSLTR1, CNR1 PTGDR2 8/4885PKM 4048/4885KMT2A 3492/4885
US-20120142687-A1 INDOLECARBOXYLIC ACID DERIVATIVE HAVING PGD2 RECEPTOR ANTAGONISTIC ACTIVITY PTGDR, CYSLTR1, CYSLTR2 PTGDR2 7/4885PKM 4008/4885KMT2A 3174/4885

“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.