SCHEMBL7220464

SCHEMBL7220464

COC(=O)CCc1cc(C=O)cc2c1CCC(NS(=O)(=O)c1ccc(Cl)cc1)C2

nearest known ligand 0.58

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 9/20 0.58
TBXAS1 P24557 9/20 0.54
HDAC8 Q9BY41 2/20 0.46

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
SCHEMBL7220458 0.92 TBXA2R (0.57) TBXA2RTBXAS1HDAC8
SCHEMBL7468936 0.90 TBXA2R (0.72) TBXA2RTBXAS1HDAC8
SCHEMBL9255961 0.88 TBXA2R (0.61) TBXA2RTBXAS1HDAC8
SCHEMBL7218356 0.88 TBXA2R (0.60) TBXA2RTBXAS1HDAC8
SCHEMBL7226903 0.87 TBXAS1 (0.61) TBXA2RTBXAS1HDAC8
SCHEMBL7219571 0.86 TBXAS1 (0.60) TBXA2RTBXAS1HDAC8
SCHEMBL8114551 0.86 TBXAS1 (0.60) TBXA2RTBXAS1HDAC8
SCHEMBL8107247 0.85 TBXAS1 (0.58) TBXA2RTBXAS1HDAC8
SCHEMBL7220602 0.85 TBXAS1 (0.68) TBXA2RTBXAS1HDAC8
SCHEMBL7220448 0.84 TBXAS1 (0.58) TBXA2RTBXAS1HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6545037-B2 Thromboxane A2 (TXA2) receptor and 5HT2 serotonergic receptor antagonists; 3-(6-(((4-chlorophenyl)sulphonyl)amino)-3-((2-(4-methyl-1 -piperazinyl)phenoxy)methyl)-5,6, 7,8-tetrahydro-1-naphthyl)propanoic acid for example LES LABORATOIRES SERVIER (FR) 2003-04-08 US disclosed
US-6469011-B2 NITROGEN OXIDE YIELDING AND THROMBOXANE A2 (TXA2) AND SEROTONIN (5HT2) RECEPTOR ANTAGONIST; TREATMENT OF ATHEROTHROMBOTIC CARDIOVASCULAR DISORDERS LES LABORATOIRES SERVIER (FR) 2002-10-22 US disclosed
US-20020137742-A1 Benzenesulfonamide compounds LAVIELLE GILBERT (FR) 2002-09-26 US disclosed
US-20010009915-A1 New benzenesulfonamide compounds LES LABORATOIRES SERVIER (FR) 2001-07-26 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-20010009915-A1 New benzenesulfonamide compounds CNR1, CNR2, HTR1A TBXA2R 5/4885TBXAS1 31/4885HDAC8 2046/4885
US-20020137742-A1 Benzenesulfonamide compounds CNR1, CNR2, HTR1A TBXA2R 4/4885TBXAS1 50/4885HDAC8 2136/4885

“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.