SCHEMBL3139591

SCHEMBL3139591

Cc1cccc(N2CCN(CCNC(=O)c3ccc(S(=O)(=O)Nc4ccccc4Oc4ccc(Cl)cc4Cl)cc3)CC2)n1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 13/20 0.52
HTR1A P08908 3/20 0.50
HTR2A P28223 2/20 0.50
DRD3 P35462 1/20 0.50
KCNH2 Q12809 1/20 0.49
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
GAA P10253 1/20 0.46
TSHR P16473 1/20 0.46
SMN1; SMN2 Q16637 1/20 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
SCHEMBL15016167 0.89 CCR2 (0.54) CCR2KCNH2KDM4EALDH1A1
SCHEMBL3150162 0.89 CCR2 (0.56) CCR2HTR1AHTR2ADRD3KDM4E
SCHEMBL3140818 0.88 CCR2 (0.52) CCR2KCNH2KDM4EALDH1A1GAA
SCHEMBL15016259 0.85 CCR2 (0.55) CCR2HTR1AKCNH2KDM4EALDH1A1
Trifluoroacetic Acid SCHEMBL3139878 0.85 CCR2 (0.52) CCR2KCNH2
Hydrochloric Acid SCHEMBL3148843 0.85 CCR2 (0.54) CCR2HTR1AKCNH2KDM4EALDH1A1
SCHEMBL3154017 0.85 HTR1A (0.52) CCR2HTR1AHTR2ADRD3ALDH1A1
SCHEMBL3139609 0.82 HTR1A (0.52) CCR2HTR1AHTR2ADRD3ALDH1A1
SCHEMBL3052714 0.81 CCR2 (0.63) CCR2KCNH2KDM4EALDH1A1GAA
SCHEMBL3153470 0.81 CCR2 (0.50) CCR2HTR1AHTR2ADRD3KDM4E

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-2074083-B1 NEW SULFONAMIDE DERIVATIVES AS BRADYKININ ANTAGONISTS RICHTER GEDEON NYRT (HU) 2013-06-19 EP claimed
US-20100075978-A1 SULFONAMIDE DERIVATIVES AS BRADYKININ ANTAGONISTS RICHTER GEDEON NYRT. (HU) 2010-03-25 US claimed
EP-2074083-B1 NEW SULFONAMIDE DERIVATIVES AS BRADYKININ ANTAGONISTS RICHTER GEDEON NYRT (HU) 2013-06-19 EP disclosed
US-20100075978-A1 SULFONAMIDE DERIVATIVES AS BRADYKININ ANTAGONISTS RICHTER GEDEON NYRT. (HU) 2010-03-25 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 (1 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-20100075978-A1 SULFONAMIDE DERIVATIVES AS BRADYKININ ANTAGONISTS BDKRB1, BDKRB2, TRPV1 CCR2 417/4885HTR1A 709/4885HTR2A 985/4885

“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.