SCHEMBL3110187

SCHEMBL3110187

Cc1cc(C(=O)N2CCOCC2)nn1-c1ccc(S(N)(=O)=O)cc1C(=O)NCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 10/20 0.53
ALDH1A1 P00352 2/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
ALOX15 P16050 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HSD17B10 Q99714 1/20 0.49
CA4 P22748 4/20 0.48
CA2 P00918 3/20 0.48
KDM4E B2RXH2 1/20 0.47

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
SCHEMBL3118389 0.92 PTGS2 (0.54) PTGS2ALDH1A1MEN1KMT2AALOX15
SCHEMBL3102148 0.89 PTGS2 (0.53) PTGS2CA4CA2
SCHEMBL14292740 0.86 CA4 (0.54) PTGS2ALDH1A1MEN1KMT2AALOX15
SCHEMBL3101658 0.85 PTGS2 (0.54) PTGS2CA2
SCHEMBL3106608 0.85 PTGS2 (0.54) PTGS2SMN1; SMN2
SCHEMBL3113061 0.84 CA4 (0.53) PTGS2ALDH1A1MEN1KMT2AALOX15
SCHEMBL3115632 0.82 CA9 (0.53) PTGS2ALDH1A1MEN1KMT2AALOX15
SCHEMBL3117954 0.80 PTGS2 (0.57) PTGS2MEN1KMT2ASMN1; SMN2
SCHEMBL13108805 0.76 CA2 (0.48) PTGS2ALDH1A1MEN1KMT2AALOX15
SCHEMBL3109959 0.76 CA2 (0.49) MEN1KMT2AALOX15SMN1; SMN2HSD17B10

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 47/4885ALDH1A1 1198/4885MEN1 2036/4885

“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.