SCHEMBL3102280

SCHEMBL3102280

Cc1cc(C(=O)NCc2ccccc2)nn1-c1ccc(S(N)(=O)=O)cc1

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.63
CA2 P00918 5/20 0.56
CACNA1G O43497 1/20 0.56
CACNA1H O95180 1/20 0.56
PTGS1 P23219 2/20 0.55
EPHX2 P34913 2/20 0.55
KMT2A Q03164 1/20 0.54
CA1 P00915 4/20 0.53
DHODH Q02127 3/20 0.51
CA9 Q16790 1/20 0.51
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
HPGD P15428 1/20 0.50
HSD17B10 Q99714 1/20 0.50

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
SCHEMBL14561993 0.86 CACNA1G (0.67) PTGS2CA2CACNA1GCACNA1HPTGS1
SCHEMBL3109266 0.85 PTGS2 (0.52) PTGS2CA2PTGS1EPHX2CA1
SCHEMBL3113061 0.83 CA4 (0.53) PTGS2CA2CACNA1GCACNA1HKMT2A
SCHEMBL3098478 0.81 CHRNA7 (0.51) PTGS2CA2PTGS1EPHX2CA1
SCHEMBL14292740 0.81 CA4 (0.54) PTGS2CA2KMT2ACA1CA9
SCHEMBL3117397 0.80 PTGS2 (0.58) PTGS2CA2PTGS1KMT2ACA1
SCHEMBL3107422 0.79 CA1 (0.56) PTGS2CA2CACNA1GCACNA1HPTGS1
SCHEMBL3107727 0.78 PTGS2 (0.50) PTGS2CA2PTGS1EPHX2CA9
SCHEMBL3115632 0.78 CA9 (0.53) PTGS2CA2KMT2ACA1CA9
SCHEMBL3110187 0.75 PTGS2 (0.53) PTGS2CA2KMT2AKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100256357-A1 HETEROCYCLES USEFUL AS INHIBITORS OF CARBONIC ANHYDRASE AGOURON PHARMACEUTICALS, INC. 2010-10-07 US disclosed
US-20100256357-A1 HETEROCYCLES USEFUL AS INHIBITORS OF CARBONIC ANHYDRASE AGOURON PHARMACEUTICALS, INC. 2010-10-07 US disclosed
US-20100256357-A1 HETEROCYCLES USEFUL AS INHIBITORS OF CARBONIC ANHYDRASE AGOURON PHARMACEUTICALS, INC. 2010-10-07 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-20100256357-A1 HETEROCYCLES USEFUL AS INHIBITORS OF CARBONIC ANHYDRASE CA2, CA7, CA9 PTGS2 47/4885CA2 1/4885CACNA1G 1692/4885

“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.