SCHEMBL2979455

SCHEMBL2979455

COc1ccc(Br)cc1S(=O)(=O)NC(=O)C=Cc1ccc(COc2ccccc2)cc1Cc1ccc2ccccc2c1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER3 P43115 12/20 0.79
PTGER4 P35408 8/20 0.79
PTGER1 P34995 6/20 0.79
DRD3 P35462 1/20 0.79
PTGER2 P43116 6/20 0.50
KDM4E B2RXH2 3/20 0.45
MAPT P10636 3/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
LMNA P02545 1/20 0.45
PTGDR Q13258 2/20 0.43
HDAC8 Q9BY41 1/20 0.41
TBXA2R P21731 1/20 0.41
PTGFR P43088 1/20 0.41
POLB P06746 1/20 0.40
ALPL P05186 1/20 0.40
TNF P01375 1/20 0.40
NOD2 Q9HC29 1/20 0.40
NOD1 Q9Y239 1/20 0.40
CYSLTR1 Q9Y271 1/20 0.39

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
SCHEMBL2979450 1.00 PTGER3 (0.79) PTGER3PTGER4PTGER1DRD3PTGER2
SCHEMBL2971837 0.94 PTGER3 (0.76) PTGER3PTGER4PTGER1DRD3PTGER2
SCHEMBL2971831 0.94 PTGER3 (0.76) PTGER3PTGER4PTGER1DRD3PTGER2
SCHEMBL6651935 0.89 PTGER3 (1.00) PTGER3PTGER4PTGER1DRD3PTGER2
SCHEMBL29988642 0.89 PTGER3 (1.00) PTGER3PTGER4PTGER1DRD3PTGER2
SCHEMBL29663670 0.89 PTGER3 (1.00) PTGER3PTGER4PTGER1DRD3PTGER2
SCHEMBL6651946 0.89 PTGER3 (1.00) PTGER3PTGER4PTGER1DRD3PTGER2
SCHEMBL29376849 0.89 PTGER3 (1.00) PTGER3PTGER4PTGER1DRD3PTGER2
SCHEMBL7817269 0.88 PTGER3 (0.83) PTGER3PTGER4PTGER1DRD3PTGER2
SCHEMBL7817274 0.88 PTGER3 (0.83) PTGER3PTGER4PTGER1DRD3PTGER2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060258728-A1 Carboxylic acid derivative compounds and drugs comprising these compounds as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2006-11-16 US claimed
EP-1431267-A1 CARBOXYLIC ACID DERIVATIVE COMPOUNDS AND DRUGS COMPRISING THESE COMPOUNDS AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2004-06-23 EP claimed
US-7786161-B2 Carboxylic acid derivatives and pharmaceutical agent comprising the same as active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2010-08-31 US disclosed
US-20090318703-A1 CARBOXYLIC ACID DERIVATIVES AND PHARMACEUTICAL AGENT COMPRISING THE SAME AS ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD (JP) 2009-12-24 US disclosed
US-7491748-B2 Carboxylic acid derivative compounds and drugs comprising these compounds as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2009-02-17 US disclosed
US-20060258728-A1 Carboxylic acid derivative compounds and drugs comprising these compounds as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2006-11-16 US disclosed
EP-1431267-A1 CARBOXYLIC ACID DERIVATIVE COMPOUNDS AND DRUGS COMPRISING THESE COMPOUNDS AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2004-06-23 EP 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-20090318703-A1 CARBOXYLIC ACID DERIVATIVES AND PHARMACEUTICAL AGENT COMPRISING THE SAME AS ACTIVE INGREDIENT PTGER2, PTGER4, PTGER1 PTGER3 4/4885PTGER4 2/4885PTGER1 3/4885
US-20060258728-A1 Carboxylic acid derivative compounds and drugs comprising these compounds as the active ingredient PTGER2, PTGER4, PTGER1 PTGER3 4/4885PTGER4 2/4885PTGER1 3/4885

“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.