SCHEMBL7130401

SCHEMBL7130401

CC(C)S(=O)(=O)[N@@]1CC1Cc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CA1 P00915 6/20 0.42
CA2 P00918 6/20 0.42
CA4 P22748 6/20 0.42
CA9 Q16790 6/20 0.42
ABCB1 P08183 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL7130391 1.00 CA1 (0.42) CA1CA2CA4CA9ABCB1
SCHEMBL15625954 0.81 CA1 (0.53) CA1CA2CA4CA9ABCB1
SCHEMBL21034463 0.78 FAAH (0.42) CA1CA2CA4CA9ABCB1
SCHEMBL21034464 0.78 FAAH (0.42) CA1CA2CA4CA9ABCB1
SCHEMBL538865 0.77 ALDH1A1 (0.56) CA1CA2CA4CA9ABCB1
SCHEMBL3107844 0.77 ALDH1A1 (0.56) CA1CA2CA4CA9ABCB1
SCHEMBL902931 0.77 ALDH1A1 (0.56) CA1CA2CA4CA9ABCB1
SCHEMBL7121377 0.77 L3MBTL1 (0.59) CA1CA2CA4CA9L3MBTL1
SCHEMBL7121380 0.77 L3MBTL1 (0.59) CA1CA2CA4CA9L3MBTL1
SCHEMBL7130397 0.76 SMN1; SMN2 (0.46) CA1CA2CA4CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030153771-A1 Large scale synthesis of optically pure aziridines LEXICON PHARMACEUTICALS, INC. 2003-08-14 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-20030153771-A1 Large scale synthesis of optically pure aziridines QDPR, AZI2, NISCH CA1 3495/4885CA2 2934/4885CA4 2696/4885

“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.