SCHEMBL7220140

SCHEMBL7220140

O=C(O)CCc1cc(CCN2CCC(C(=O)c3ccc(F)cc3)CC2)cc2c1CCC(NS(=O)(=O)c1ccc(Cl)cc1)C2

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 5/20 0.58
TBXA2R P21731 6/20 0.57
HRH2 P25021 2/20 0.46
HRH1 P35367 2/20 0.46
HTR2A P28223 3/20 0.46
HTR2C P28335 3/20 0.46
HTR7 P34969 3/20 0.46
HTR6 P50406 3/20 0.46
KCNH2 Q12809 1/20 0.44
PTGDR Q13258 2/20 0.42
PTGDR2 Q9Y5Y4 2/20 0.42
ABCB11 O95342 1/20 0.42
CYP2C9 P11712 1/20 0.42
DRD1 P21728 1/20 0.42
CCKAR P32238 1/20 0.42

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
SCHEMBL7218278 0.96 TBXAS1 (0.57) TBXAS1TBXA2RHRH2HRH1HTR2A
SCHEMBL7224535 0.94 TBXAS1 (0.58) TBXAS1TBXA2RHRH2HRH1HTR2A
SCHEMBL7225165 0.92 TBXAS1 (0.49) TBXAS1TBXA2RHRH2HRH1HTR2A
SCHEMBL7218745 0.92 TBXAS1 (0.52) TBXAS1TBXA2RHRH2HRH1HTR2A
SCHEMBL7225780 0.90 TBXAS1 (0.58) TBXAS1TBXA2RPTGDRPTGDR2ABCB11
SCHEMBL7225898 0.89 TBXAS1 (0.56) TBXAS1TBXA2RPTGDRPTGDR2ABCB11
SCHEMBL7218212 0.86 TBXA2R (0.60) TBXAS1TBXA2RHRH2HRH1HTR2A
SCHEMBL7218192 0.86 TBXAS1 (0.57) TBXAS1TBXA2RPTGDRPTGDR2ABCB11
SCHEMBL7225453 0.83 TBXAS1 (0.53) TBXAS1TBXA2RHTR2APTGDRPTGDR2
SCHEMBL7218443 0.82 TBXAS1 (0.54) TBXAS1TBXA2RHTR2APTGDRPTGDR2

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-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
EP-1118610-B1 Benzenesulfonamide derivatives, process for their preparation and pharmaceutical compositions containing them SERVIER LAB (FR) 2002-08-21 EP disclosed
US-20010009915-A1 New benzenesulfonamide compounds LES LABORATOIRES SERVIER (FR) 2001-07-26 US disclosed
EP-1118610-A1 Benzenesulfonamide derivatives, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 2001-07-25 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-20010009915-A1 New benzenesulfonamide compounds CNR1, CNR2, HTR1A TBXAS1 31/4885TBXA2R 5/4885HRH2 76/4885
US-20020137742-A1 Benzenesulfonamide compounds CNR1, CNR2, HTR1A TBXAS1 50/4885TBXA2R 4/4885HRH2 98/4885

“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.