SCHEMBL840440

SCHEMBL840440

CC(=O)CCc1ccc(S(=O)(=O)NC(=O)C(C)C)cc1

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.59
NPSR1 Q6W5P4 2/20 0.55
L3MBTL1 Q9Y468 1/20 0.47
GAA P10253 1/20 0.47
LMNA P02545 1/20 0.47
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
MAPT P10636 1/20 0.44
POLB P06746 1/20 0.43

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
SCHEMBL19214926 0.88 NPSR1 (0.69) ALDH1A1NPSR1L3MBTL1GAALMNA
SCHEMBL791784 0.84 L3MBTL1 (0.62) ALDH1A1NPSR1L3MBTL1LMNACA1
SCHEMBL8277097 0.76 ALDH1A1 (0.72) ALDH1A1NPSR1L3MBTL1GAALMNA
SCHEMBL12339107 0.74 ALDH1A1 (0.70) ALDH1A1NPSR1L3MBTL1LMNACA1
SCHEMBL8277078 0.74 ALDH1A1 (0.70) ALDH1A1NPSR1L3MBTL1CA1CA2
SCHEMBL9237237 0.74 ALDH1A1 (1.00) ALDH1A1NPSR1L3MBTL1LMNACA1
SCHEMBL85199 0.74 ALDH1A1 (0.69) ALDH1A1NPSR1L3MBTL1LMNACA1
SCHEMBL8072061 0.74 ALDH1A1 (0.57) ALDH1A1NPSR1GAALMNACA1
SCHEMBL30849591 0.74 ALDH1A1 (0.57) ALDH1A1NPSR1GAALMNACA1
SCHEMBL10285030 0.74 ALDH1A1 (0.68) ALDH1A1NPSR1L3MBTL1LMNACA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9725442-B2 Heterocyclic derivative having PGD2 receptor antagonist activity SHIONOGI & CO., LTD. (JP) 2017-08-08 US disclosed
US-9440938-B2 Sulfonamide derivative having PGD2 receptor antagonistic activity SHIONOGI & CO., LTD. (JP) 2016-09-13 US disclosed
US-20150158833-A1 SULFONAMIDE DERIVATIVE HAVING PGD2 RECEPTOR ANTAGONISTIC ACTIVITY SHIONOGI & CO (JP) 2015-06-11 US disclosed
US-20140275074-A1 HETEROCYCLIC DERIVATIVE HAVING PGD2 RECEPTOR ANTAGONIST ACTIVITY SHIONOGI & CO., LTD. (JP) 2014-09-18 US disclosed
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-20110028717-A1 AZAINDOLE DERIVATIVE HAVING PGD2 RECEPTOR ANTAGONISTIC ACTIVITY KUGIMIYA AKIRA 2011-02-03 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 (4 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-20140275074-A1 HETEROCYCLIC DERIVATIVE HAVING PGD2 RECEPTOR ANTAGONIST ACTIVITY PTGDR, PTGDR2, PTGER4 ALDH1A1 2912/4885NPSR1 114/4885L3MBTL1 4571/4885
US-20150158833-A1 SULFONAMIDE DERIVATIVE HAVING PGD2 RECEPTOR ANTAGONISTIC ACTIVITY PTGDR, PTGDR2, CNR2 ALDH1A1 1440/4885NPSR1 75/4885L3MBTL1 4079/4885
US-20110028717-A1 AZAINDOLE DERIVATIVE HAVING PGD2 RECEPTOR ANTAGONISTIC ACTIVITY PTGDR, HRH2, PTGDR2 ALDH1A1 2051/4885NPSR1 119/4885L3MBTL1 3573/4885
US-20120142687-A1 INDOLECARBOXYLIC ACID DERIVATIVE HAVING PGD2 RECEPTOR ANTAGONISTIC ACTIVITY PTGDR, CYSLTR1, CYSLTR2 ALDH1A1 2398/4885NPSR1 77/4885L3MBTL1 4142/4885

“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.