SCHEMBL3113076

SCHEMBL3113076

CCNCc1cc(S(N)(=O)=O)ccc1-n1nc(C(F)(F)F)c2c1CCCC2

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GRIA2 P42262 16/20 0.51
CYP1A2 P05177 6/20 0.51
CYP2D6 P10635 4/20 0.51
CYP2C9 P11712 7/20 0.48
CYP2C19 P33261 2/20 0.46
GAA P10253 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
SCHEMBL3103091 0.85 GRIA2 (0.53) GRIA2CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL3100660 0.81 CYP1A2 (0.59) GRIA2CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL3098453 0.78 GRIA2 (0.54) GRIA2CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL3114522 0.77 GRIA2 (0.53) GRIA2CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL3107408 0.75 GRIA2 (0.77) GRIA2CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL3113696 0.74 GRIA2 (0.51) GRIA2CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL13100006 0.73 CA2 (0.50) GRIA2CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL14291977 0.72 KDM4E (0.38) GRIA2CYP1A2CYP2D6CYP2C9
SCHEMBL3102879 0.72 GRIA2 (0.48) GRIA2CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL3105055 0.70 PTGS2 (0.47) GRIA2CYP1A2CYP2D6CYP2C19

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 4 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
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 GRIA2 4028/4885CYP1A2 1112/4885CYP2D6 1483/4885

“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.