SCHEMBL23343702

SCHEMBL23343702

CC(C)(C)OCCc1ccc(S(N)(=O)=O)cc1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA2 P00918 19/20 0.58
CA1 P00915 13/20 0.58
CA12 O43570 5/20 0.55
CA9 Q16790 5/20 0.55
CA7 P43166 3/20 0.55
CA4 P22748 2/20 0.55
CA6 P23280 2/20 0.55
CA5A P35218 2/20 0.55
CA14 Q9ULX7 2/20 0.55
CA5B Q9Y2D0 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.54
KDM4E B2RXH2 1/20 0.49

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
SCHEMBL23343670 0.82 CA2 (0.61) CA2CA1CA12CA9CA7
SCHEMBL14959419 0.80 CA2 (0.63) CA2CA1CA12CA9CA7
SCHEMBL24257976 0.78 CA2 (0.54) CA2CA1CA12CA9CA7
SCHEMBL8260632 0.77 CA2 (0.63) CA2CA1CA12CA9CA7
SCHEMBL23987219 0.76 CA2 (0.58) CA2CA1CA12CA9CA7
SCHEMBL13233461 0.76 GPR35 (0.64) CA2CA1CA12CA9CA4
SCHEMBL26801114 0.74 CA2 (0.47) CA2CA1CA12CA9CA7
SCHEMBL429778 0.74 CA2 (1.00) CA2CA1CA12CA9CA7
SCHEMBL14498996 0.74 CYP1A2 (0.46) SMN1; SMN2
SCHEMBL12021287 0.74 TAAR1 (0.46) CA2SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210338610-A1 AMINO-ARYL-BENZAMIDE COMPOUNDS AND METHODS OF USE THEREOF HEPANOVA, INC. 2021-11-04 US disclosed
US-11000491-B2 Amino-aryl-benzamide compounds and methods of use thereof HEPANOVA, INC. (US) 2021-05-11 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 (2 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-11000491-B2 Amino-aryl-benzamide compounds and methods of use thereof AADAC, GOT2, ABAT CA2 4761/4885CA1 4872/4885CA12 4666/4885
US-20210338610-A1 AMINO-ARYL-BENZAMIDE COMPOUNDS AND METHODS OF USE THEREOF AADAC, GOT2, ABAT CA2 4761/4885CA1 4872/4885CA12 4666/4885

“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.