SCHEMBL3106341

SCHEMBL3106341

CCOC(=O)c1nc(Cc2ccccc2)n(-c2ccc(S(N)(=O)=O)cn2)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.44
ADORA1 P30542 1/20 0.44
CA9 Q16790 6/20 0.44
CA12 O43570 3/20 0.42
KDM4E B2RXH2 3/20 0.42
TSHR P16473 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
HSD17B10 Q99714 2/20 0.42
HTT P42858 2/20 0.42
RAB9A P51151 2/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
SMO Q99835 1/20 0.41
CA2 P00918 4/20 0.40
CA1 P00915 3/20 0.40
CA4 P22748 1/20 0.40
PTGS2 P35354 2/20 0.39
KMT2A Q03164 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
NPC1 O15118 1/20 0.37

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
SCHEMBL3105492 0.87 SMO (0.46) CA9CA12SMOCA2CA1
SCHEMBL3110081 0.86 CA9 (0.57) ADORA2AADORA1CA9CA12KDM4E
SCHEMBL14292722 0.85 PTGS2 (0.46) CA9CA12SMOCA2CA1
SCHEMBL3104526 0.84 SMO (0.41) CA9CA12KDM4ETSHRSMN1; SMN2
SCHEMBL3113791 0.81 CA9 (0.45) ADORA2AADORA1CA9CA12LMNA
SCHEMBL3106633 0.81 CA9 (0.45) ADORA2AADORA1CA9CA12ALDH1A1
SCHEMBL3104160 0.80 CA12 (0.43) CA9CA12SMOCA2CA1
SCHEMBL13109142 0.79 SMO (0.45) CA9CA12SMOCA2CA1
SCHEMBL3112963 0.79 SMO (0.46) CA9CA12SMOCA2CA1
SCHEMBL3112799 0.76 SMO (0.42) CA9CA12KDM4ETSHRSMN1; 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100256357-A1 HETEROCYCLES USEFUL AS INHIBITORS OF CARBONIC ANHYDRASE AGOURON PHARMACEUTICALS, INC. 2010-10-07 US disclosed
US-20100256357-A1 HETEROCYCLES USEFUL AS INHIBITORS OF CARBONIC ANHYDRASE AGOURON PHARMACEUTICALS, INC. 2010-10-07 US disclosed
US-20100256357-A1 HETEROCYCLES USEFUL AS INHIBITORS OF CARBONIC ANHYDRASE AGOURON PHARMACEUTICALS, INC. 2010-10-07 US disclosed
EP-2051966-A2 HETEROCYCLES USEFUL AS INHIBITORS OF CARBONIC ANHYDRASE Pfizer Products Inc. (US) 2009-04-29 EP disclosed
WO-2008017932-A2 HETEROCYCLES USEFUL AS INHIBITORS OF CARBONIC ANHYDRASE PFIZER PRODUCTS INC. (US) 2008-02-14 WO disclosed
WO-2008017932-A2 HETEROCYCLES USEFUL AS INHIBITORS OF CARBONIC ANHYDRASE PFIZER PRODUCTS INC. (US) 2008-02-14 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-20100256357-A1 HETEROCYCLES USEFUL AS INHIBITORS OF CARBONIC ANHYDRASE CA2, CA7, CA9 ADORA2A 3337/4885ADORA1 4208/4885CA9 3/4885

“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.