SCHEMBL3055183

SCHEMBL3055183

COC(=O)[C@@H](N)CCCCNC(=O)CNC(=O)c1ccc(S(=O)(=O)Nc2ccccc2Oc2ccc(Cl)cc2Cl)cc1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGDR Q13258 7/20 0.44
PTGDR2 Q9Y5Y4 7/20 0.44
NAMPT P43490 1/20 0.42
CCR2 P41597 5/20 0.42
CCR1 P32246 1/20 0.41
MAPK14 Q16539 1/20 0.41
ABCC3 O15438 1/20 0.41
ABCC4 O15439 1/20 0.41
ABCB11 O95342 1/20 0.41
TBXA2R P21731 1/20 0.41
PTGER4 P35408 1/20 0.41
PTGER2 P43116 1/20 0.41
KCNH2 Q12809 1/20 0.41

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
SCHEMBL3053482 0.85 PTGDR (0.46) PTGDRPTGDR2NAMPTCCR2CCR1
SCHEMBL3058996 0.85 PTGDR (0.41) PTGDRPTGDR2NAMPTCCR2CCR1
Hydrochloric Acid SCHEMBL3058990 0.84 PTGDR (0.41) PTGDRPTGDR2NAMPTCCR2CCR1
Hydrochloric Acid SCHEMBL3050737 0.84 CCR2 (0.46) PTGDRPTGDR2NAMPTCCR2CCR1
SCHEMBL3052369 0.84 CYP3A4 (0.50) PTGDRPTGDR2NAMPTCCR2CCR1
SCHEMBL3049268 0.84 CCR2 (0.44) PTGDRPTGDR2NAMPTCCR2CCR1
SCHEMBL3057519 0.83 CCR2 (0.43) PTGDRPTGDR2NAMPTCCR2CCR1
SCHEMBL3054192 0.83 CCR2 (0.57) CCR2KCNH2
SCHEMBL3044065 0.82 CCR2 (0.58) CCR2KCNH2
SCHEMBL3055006 0.81 GAA (0.57) CCR2KCNH2

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
EP-2057116-B1 NEW PHENYLSULFAMOYL BENZAMIDE DERIVATIVES AS BRADYKININ ANTAGONISTS RICHTER GEDEON NYRT (HU) 2013-02-13 EP disclosed
US-20130029991-A1 New Phenylsulfamoyl Benzamide Derivatives as Bradykinin Antagonists BEKE GYULA (HU) 2013-01-31 US disclosed
US-20120295910-A1 New Phenylsulfamoyl Benzamide Derivatives as Bradykinin Antagonists BEKE GYULA (HU) 2012-11-22 US disclosed
US-20100105686-A1 PHENYLSULFAMOYL BENZAMIDE DERIVATIVES AS BRADYKININ ANTAGONISTS RICHTER GEDEON NYRT. (HU) 2010-04-29 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 (3 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-20120295910-A1 New Phenylsulfamoyl Benzamide Derivatives as Bradykinin Antagonists BDKRB1, BDKRB2, HRH4 PTGDR 103/4885PTGDR2 225/4885NAMPT 2854/4885
US-20130029991-A1 New Phenylsulfamoyl Benzamide Derivatives as Bradykinin Antagonists BDKRB1, BDKRB2, HRH4 PTGDR 112/4885PTGDR2 233/4885NAMPT 2932/4885
US-20100105686-A1 PHENYLSULFAMOYL BENZAMIDE DERIVATIVES AS BRADYKININ ANTAGONISTS BDKRB1, BDKRB2, HRH1 PTGDR 112/4885PTGDR2 244/4885NAMPT 2751/4885

“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.