SCHEMBL2777021

SCHEMBL2777021

Nc1cc[c]c(S(N)(=O)=O)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 16/20 0.42
CA1 P00915 12/20 0.42
CA12 O43570 10/20 0.42
CA9 Q16790 10/20 0.42
CA14 Q9ULX7 7/20 0.42
CA4 P22748 7/20 0.42
CA6 P23280 5/20 0.38
CA5A P35218 5/20 0.38
CA7 P43166 5/20 0.38
CA5B Q9Y2D0 4/20 0.38
TSHR P16473 2/20 0.38
CA13 Q8N1Q1 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
USP2 O75604 1/20 0.38
AGO2 Q9UKV8 1/20 0.38
LMNA P02545 1/20 0.34
ALDH1A1 P00352 1/20 0.32
HSD17B10 Q99714 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
KDM4E B2RXH2 1/20 0.31

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
SCHEMBL2152786 0.81 ALDH1A1 (0.44) CA2CA1CA12CA9CA14
SCHEMBL5868198 0.81 L3MBTL1 (0.42) CA2CA1CA12CA9CA14
SCHEMBL2170695 0.77 CA2 (0.40) CA2CA1CA12CA9CA14
SCHEMBL2167752 0.77 CA2 (0.40) CA2CA1CA12CA9CA14
SCHEMBL2169120 0.77 CA1 (0.40) CA2CA1CA12CA9CA14
SCHEMBL2168882 0.77 CA2 (0.40) CA2CA1CA12CA9CA6
SCHEMBL6640010 0.76 CA2 (0.47) CA2CA1CA12CA9CA14
SCHEMBL5132685 0.75 LMNA (0.46) CA2CA1CA12CA9CA14
SCHEMBL7528632 0.72 GAA (0.48) CA2CA1CA12CA9CA6
SCHEMBL2000387 0.72 CA2 (0.41) CA2CA1CA12CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8975259-B2 Compositions and methods for inhibiting G protein signaling UNIVERSITY OF ROCHESTER (US) 2015-03-10 US disclosed
US-20100130505-A1 COMPOSITIONS AND METHODS FOR INHIBITING G PROTEIN SIGNALING UNIVERSITY OF ROCHESTER (US) 2010-05-27 US disclosed
EP-2147310-A2 COMPOSITIONS AND METHODS FOR INHIBITING G PROTEIN SIGNALING University of Rochester (US) 2010-01-27 EP disclosed
WO-2009020677-A9 COMPOSITIONS AND METHODS FOR INHIBITING G PROTEIN SIGNALING UNIV ROCHESTER (US) 2009-04-16 WO disclosed
WO-2009020677-A2 COMPOSITIONS AND METHODS FOR INHIBITING G PROTEIN SIGNALING UNIVERSITY OF ROCHESTER (US) 2009-02-12 WO 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-20100130505-A1 COMPOSITIONS AND METHODS FOR INHIBITING G PROTEIN SIGNALING GNAI1, GNAI3, GNAI2 CA2 1073/4885CA1 3463/4885CA12 4357/4885

“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.