SCHEMBL7018329

SCHEMBL7018329

C/C(=C\c1ccc(Oc2ccc(S(N)(=O)=O)cc2)cc1)C(=O)NC(=N)N

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA2 P00918 13/20 0.48
CA1 P00915 12/20 0.48
CA4 P22748 4/20 0.48
CA7 P43166 3/20 0.48
ALDH1A1 P00352 2/20 0.46
HTT P42858 1/20 0.46
CA9 Q16790 10/20 0.44
CA12 O43570 9/20 0.44
SOS1 Q07889 3/20 0.42
MAPT P10636 1/20 0.37
PTGS2 P35354 2/20 0.37
PTGS1 P23219 1/20 0.37

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
SCHEMBL7018333 1.00 CA2 (0.48) CA2CA1CA4CA7ALDH1A1
SCHEMBL7022411 0.86 CA1 (0.51) CA2CA1CA4CA7CA9
SCHEMBL7022408 0.86 CA1 (0.51) CA2CA1CA4CA7CA9
SCHEMBL7032505 0.86 SLC9A3 (0.51)
SCHEMBL7032499 0.86 SLC9A3 (0.51)
SCHEMBL19341340 0.80 CA1 (0.43) CA2CA1CA4CA7ALDH1A1
SCHEMBL1277409 0.79 ALDH1A1 (0.36) CA2CA1CA4CA7ALDH1A1
SCHEMBL1277449 0.77 CA1 (0.35) CA2CA1CA4CA7ALDH1A1
SCHEMBL7030195 0.76 CA1 (0.44) CA2CA1CA4CA9CA12
SCHEMBL7030194 0.76 CA1 (0.44) CA2CA1CA4CA9CA12

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-1322602-A1 SUBSTITUTED CINNAMIC ACID GUANIDIDES, METHOD FOR THE PRODUCTION THEREOF, THEIR USE AS A MEDICAMENT, AND TO A MEDICAMENT CONTAINING THESE COMPOUNDS Aventis Pharma Deutschland GmbH (DE) 2003-07-02 EP disclosed
US-6399824-B1 FOR THERAPY AND PROPHYLAXIS OF ARRHYTHMIAS, CARDIAC INFRACTION, ISCHEMIC CONDITIONS, ANGINA PECTORIS, SHOCK, FOR PRESERVING AND STORING A TRANSPLANT FOR SURGICAL MEASURE AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2002-06-04 US disclosed
US-20020058710-A1 SUBSTITUTED CINNAMIC, ACID GUANIDIDES, PROCESS FOR THEIR PREPARATION, THEIR USE AS A MEDICAMENT, AND MEDICAMENT COMPRISING THEM AVENTIS PHARMA DEUTSCHLAND GMBH. 2002-05-16 US disclosed
WO-2002024637-A1 SUBSTITUTED CINNAMIC ACID GUANIDIDES, METHOD FOR THE PRODUCTION THEREOF, THEIR USE AS A MEDICAMENT, AND TO A MEDICAMENT CONTAINING THESE COMPOUNDS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2002-03-28 WO 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-20020058710-A1 SUBSTITUTED CINNAMIC, ACID GUANIDIDES, PROCESS FOR THEIR PREPARATION, THEIR USE AS A MEDICAMENT, AND MEDICAMENT COMPRISING THEM GANC, GMPS, GCDH CA2 608/4885CA1 2872/4885CA4 239/4885

“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.