SCHEMBL17093012

SCHEMBL17093012

CC(C)(c1ccccc1S(N)(=O)=O)C(C)(C)c1ccccc1S(N)(=O)=O

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA2 P00918 16/20 0.52
CA1 P00915 12/20 0.52
CA9 Q16790 10/20 0.52
CA5A P35218 5/20 0.52
CA12 O43570 5/20 0.52
CA6 P23280 4/20 0.52
CA4 P22748 3/20 0.52
CA7 P43166 3/20 0.52
CA5B Q9Y2D0 3/20 0.52
CA14 Q9ULX7 2/20 0.52
CYP2C9 P11712 1/20 0.52
CA3 P07451 1/20 0.41
PLA2G7 Q13093 1/20 0.41
CA13 Q8N1Q1 1/20 0.41
LDHA P00338 1/20 0.41
CDK2 P24941 1/20 0.41

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
SCHEMBL1281418 0.88 CA2 (0.46) CA2CA1CA9CA5ACA12
SCHEMBL2069124 0.86 CA2 (0.52) CA2CA1CA9CA5ACA12
SCHEMBL28345243 0.86 CA2 (0.52) CA2CA1CA9CA5ACA12
SCHEMBL7194865 0.84 CA2 (0.50) CA2CA1CA9CA5ACA12
SCHEMBL19857593 0.83 HSD11B1 (0.49) CA2CA1CA9CA5ACA12
SCHEMBL29418255 0.80 MEN1 (0.56) CA2CA1CA9CA5ACA12
SCHEMBL302570 0.80 MEN1 (0.56) CA2CA1CA9CA5ACA12
SCHEMBL10407302 0.79 CA2 (0.45) CA2CA1CA9CA5ACA12
SCHEMBL10587163 0.79 CA2 (0.45) CA2CA1CA9CA5ACA12
SCHEMBL14524138 0.79 CA2 (0.45) CA2CA1CA9CA5ACA12

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-20150267232-A1 IN VIVO AND IN VITRO CARBENE INSERTION AND NITRENE TRANSFER REACTIONS CATALYZED BY HEME ENZYMES CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2015-09-24 US disclosed
US-20150267232-A1 IN VIVO AND IN VITRO CARBENE INSERTION AND NITRENE TRANSFER REACTIONS CATALYZED BY HEME ENZYMES CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2015-09-24 US disclosed
US-20150267232-A1 IN VIVO AND IN VITRO CARBENE INSERTION AND NITRENE TRANSFER REACTIONS CATALYZED BY HEME ENZYMES CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2015-09-24 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-20150267232-A1 IN VIVO AND IN VITRO CARBENE INSERTION AND NITRENE TRANSFER REACTIONS CATALYZED BY HEME ENZYMES HMBS, HMOX1, HMOX2 CA2 1579/4885CA1 2759/4885CA9 1523/4885

“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.