SCHEMBL3117149

SCHEMBL3117149

Cc1cccc(Cc2nc(CNCCCCF)nn2-c2ccc(S(N)(=O)=O)cc2F)c1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.33
SCN8A Q9UQD0 1/20 0.33
KDM4E B2RXH2 3/20 0.32
MEN1 O00255 2/20 0.32
ALDH1A1 P00352 2/20 0.32
GAA P10253 2/20 0.32
MAPT P10636 2/20 0.32
KMT2A Q03164 2/20 0.32
TP53 P04637 2/20 0.32
POLB P06746 2/20 0.32
LMNA P02545 1/20 0.32
HPGD P15428 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
CA1 P00915 8/20 0.32
CA2 P00918 8/20 0.32
CA5A P35218 1/20 0.32
CA7 P43166 1/20 0.32
CA5B Q9Y2D0 1/20 0.32

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
SCHEMBL3109090 0.97 PTGS2 (0.34) PTGS2SCN8AKDM4EMEN1ALDH1A1
SCHEMBL3104787 0.90 CA2 (0.40) PTGS2SCN8AKDM4EALDH1A1GAA
SCHEMBL3112939 0.89 PTGS2 (0.39) PTGS2KDM4EMEN1ALDH1A1GAA
SCHEMBL13100423 0.88 CA1 (0.40) KDM4EMEN1ALDH1A1GAAMAPT
SCHEMBL13099985 0.84 EGFR (0.34) PTGS2CA1CA2CA5ACA7
SCHEMBL3096174 0.83 PTGS2 (0.38) PTGS2CA1CA2CA5ACA7
SCHEMBL3110773 0.83 PTGS2 (0.38) PTGS2CA1CA2CA5ACA7
SCHEMBL3261038 0.83 NPC1 (0.38) PTGS2MAPTLMNACA1CA2
SCHEMBL3102236 0.81 PTGS2 (0.40) PTGS2MEN1KMT2ATP53CA1
SCHEMBL3108471 0.81 LMNA (0.39) PTGS2KDM4EMEN1KMT2ALMNA

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 1 patent. 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

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 47/4885SCN8A 827/4885KDM4E 2901/4885

“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.