SCHEMBL22079893

SCHEMBL22079893

CC(C)(C)OCCC#Cc1ccc(S(N)(=O)=O)cc1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CA12 O43570 13/20 0.49
CA1 P00915 13/20 0.49
CA2 P00918 13/20 0.49
CA9 Q16790 13/20 0.49
CA7 P43166 4/20 0.47
TSHR P16473 1/20 0.43
CA4 P22748 1/20 0.41
CA14 Q9ULX7 1/20 0.41
ITGB1 P05556 1/20 0.39
ITGA4 P13612 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
SCHEMBL24257959 0.93 ALDH1A1 (0.49) CA12CA1CA2CA9CA7
SCHEMBL24257964 0.89 CA12 (0.52) CA12CA1CA2CA9CA7
SCHEMBL24257976 0.88 CA2 (0.54) CA12CA1CA2CA9CA7
SCHEMBL24257965 0.83 CA2 (0.52) CA12CA1CA2CA9CA7
SCHEMBL22080330 0.78 CA2 (0.58) CA12CA1CA2CA9CA7
SCHEMBL22080315 0.76 SOS1 (0.51) CA12CA1CA2CA9CA7
SCHEMBL22029358 0.74 ITGB1 (0.49) CA12CA1CA2CA9CA7
SCHEMBL31682090 0.74 ITGB1 (0.49) CA12CA1CA2CA9CA7
SCHEMBL31682046 0.74 ITGB1 (0.49) CA12CA1CA2CA9CA7
SCHEMBL23343702 0.73 CA2 (0.58) CA12CA1CA2CA9CA7

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-20220048968-A1 INSULIN CONJUGATES SANOFI (FR) 2022-02-17 US disclosed
US-20200181223-A1 INSULIN CONJUGATES SANOFI (FR) 2020-06-11 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-20200181223-A1 INSULIN CONJUGATES IAPP, INSR, IGF1R CA12 453/4885CA1 1162/4885CA2 1521/4885
US-20220048968-A1 INSULIN CONJUGATES IAPP, INSR, IGF1R CA12 453/4885CA1 1162/4885CA2 1521/4885

“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.