Sugi Predict

Sugi Predict / Compounds / SCHEMBL3112939

SCHEMBL3112939

SCHEMBL3112939

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 6/20 0.39
▸ PTGS1 P23219 2/20 0.35
▸ TP53 P04637 2/20 0.32
▸ POLB P06746 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ KMT2A Q03164 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 6/20 0.32
▸ CA2 P00918 6/20 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 0.89 PTGS2 (0.34) PTGS2PTGS1TP53POLBKDM4E
SCHEMBL3117149 0.89 PTGS2 (0.33) PTGS2PTGS1TP53POLBKDM4E
SCHEMBL13100423 0.88 CA1 (0.40) TP53POLBKDM4EMEN1ALDH1A1
SCHEMBL3104787 0.87 CA2 (0.40) PTGS2TP53POLBKDM4EALDH1A1
SCHEMBL3107635 0.85 PTGS2 (0.36) PTGS2PTGS1CA1CA2EGFR
SCHEMBL3110773 0.83 PTGS2 (0.38) PTGS2PTGS1CA1CA2CA5A
SCHEMBL3096174 0.83 PTGS2 (0.38) PTGS2PTGS1CA1CA2CA5A
SCHEMBL3261038 0.83 NPC1 (0.38) PTGS2LMNAMAPTCA1CA2
SCHEMBL13099759 0.83 PTGS2 (0.37) PTGS2PTGS1CA1CA2CA5A
SCHEMBL3102236 0.81 PTGS2 (0.40) PTGS2PTGS1TP53MEN1KMT2A

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 PTGS2 47/4885PTGS1 44/4885TP53 4068/4885

“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.