SCHEMBL3104160

SCHEMBL3104160

CN(CCc1ccccc1)C(=O)c1nc(Cc2ccccc2)n(-c2ccc(S(N)(=O)=O)cn2)n1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA12 O43570 10/20 0.43
CA1 P00915 10/20 0.43
CA2 P00918 10/20 0.43
CA9 Q16790 2/20 0.43
SMO Q99835 1/20 0.40
CA4 P22748 5/20 0.36
PTGS2 P35354 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
RORC P51449 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
GRIA2 P42262 1/20 0.35
PTGIR P43119 1/20 0.35

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
SCHEMBL3104526 0.91 SMO (0.41) CA12CA1CA2CA9SMO
SCHEMBL3109170 0.87 PTGS2 (0.46) CA12CA1CA2CA9CA4
SCHEMBL3105492 0.84 SMO (0.46) CA12CA1CA2CA9SMO
SCHEMBL14292722 0.83 PTGS2 (0.46) CA12CA1CA2CA9SMO
SCHEMBL3111445 0.82 CA1 (0.43) CA12CA1CA2CA9CA4
SCHEMBL3102008 0.81 SMO (0.41) CA12CA1CA2CA9SMO
SCHEMBL3106341 0.80 ADORA2A (0.44) CA12CA1CA2CA9SMO
SCHEMBL13100140 0.80 PTGS2 (0.41) CA12CA1CA2CA9CA4
SCHEMBL13100063 0.78 PTGS2 (0.45) CA12CA1CA2CA9CA4
SCHEMBL13100199 0.78 PTGS2 (0.45) CA12CA1CA2CA9PTGS2

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 CA12 8/4885CA1 7/4885CA2 1/4885

“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.