SCHEMBL3104092

SCHEMBL3104092

NS(=O)(=O)c1ccc(-n2nc(CO)c3c2CCCC3)cc1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 5/20 0.51
PTGS1 P23219 2/20 0.51
GRIA2 P42262 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
CA1 P00915 13/20 0.46
CA2 P00918 13/20 0.46
CA9 Q16790 13/20 0.46
CA4 P22748 7/20 0.46
CYP2C9 P11712 1/20 0.45
CA12 O43570 1/20 0.44

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
SCHEMBL3109555 0.80 PTGS2 (0.43) PTGS2PTGS1GRIA2CYP1A2CYP2D6
SCHEMBL3106235 0.80 GRIA2 (0.53) PTGS2PTGS1GRIA2CYP1A2CYP2D6
SCHEMBL10479634 0.80 PTGS2 (0.43) PTGS2PTGS1GRIA2CYP1A2CYP2D6
SCHEMBL10479605 0.80 PTGS2 (0.59) PTGS2PTGS1GRIA2CYP1A2CYP2D6
SCHEMBL10479643 0.80 GRIA2 (0.44) PTGS2PTGS1GRIA2CYP1A2CYP2D6
SCHEMBL10479389 0.80 MAPT (0.49) PTGS2GRIA2CYP1A2CYP2D6CYP2C9
SCHEMBL10479802 0.79 PTGS2 (0.59) PTGS2PTGS1GRIA2CYP1A2CYP2C9
SCHEMBL9148169 0.79 PTGS2 (0.45) PTGS2PTGS1GRIA2CYP1A2CYP2D6
SCHEMBL10479454 0.77 MAPT (0.49) PTGS2GRIA2CA1CA2CA9
SCHEMBL3107408 0.77 GRIA2 (0.77) PTGS2PTGS1GRIA2CYP1A2CYP2D6

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-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

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 PTGS2 47/4885PTGS1 44/4885GRIA2 4028/4885

“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.