SCHEMBL25552383

SCHEMBL25552383

CS(=O)(=O)NCC1CCCN(c2nc[n+]([O-])c3ccc(C(F)(F)F)cc23)C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 1/20 0.45
▸ PTGS2 P35354 1/20 0.45
▸ IRAK1 P51617 1/20 0.38
▸ TRPA1 O75762 4/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ HRH4 Q9H3N8 2/20 0.37
▸ SCN10A Q9Y5Y9 2/20 0.36
▸ AURKA O14965 2/20 0.36
▸ AURKB Q96GD4 2/20 0.36
▸ EIF2AK4 Q9P2K8 1/20 0.35
▸ BTK Q06187 1/20 0.35
▸ PIK3CD O00329 1/20 0.35
▸ PIK3R1 P27986 1/20 0.35
▸ PIK3CA P42336 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
SCHEMBL25555986 0.90 PTGS1 (0.45) PTGS1PTGS2IRAK1TRPA1KDM4E
SCHEMBL25552447 0.87 IRAK1 (0.40) PTGS1PTGS2IRAK1ALDH1A1MAPT
SCHEMBL21664248 0.82 PRKDC (0.47) PTGS1PTGS2KDM4EALDH1A1GAA
SCHEMBL21664272 0.82 ENPP1 (0.47) PTGS1PTGS2HRH4SCN10ABTK
SCHEMBL30562879 0.82 ENPP1 (0.47) PTGS1PTGS2HRH4SCN10ABTK
Hydrochloric Acid SCHEMBL30562890 0.81 ENPP1 (0.46) PTGS1PTGS2HRH4SCN10ABTK
SCHEMBL21664264 0.78 PTGS1 (0.45) PTGS1PTGS2IRAK1TRPA1KDM4E
SCHEMBL21664261 0.76 PTGS1 (0.45) PTGS1PTGS2IRAK1HRH4SCN10A
SCHEMBL30562893 0.76 PTGS1 (0.45) PTGS1PTGS2IRAK1HRH4SCN10A
SCHEMBL25554795 0.72 ALDH1A1 (0.44) PTGS1PTGS2KDM4EALDH1A1GAA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3551188-B1 SUBSTITUTED QUINAZOLINE SULFONAMIDES AS THIOREDOXIN INTERACTING PROTEIN (TXNIP) INHIBITORS SOUTHERN RES INST (US) 2023-10-18 — — EP disclosed
US-20230172932-A1 SUBSTITUTED QUINAZOLINE SULFONAMIDES AS THIOREDOXIN INTERACTING PROTEIN (TXNIP) INHIBITORS SOUTHERN RESEARCH INSTITUTE (US) 2023-06-08 — — 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-20230172932-A1 SUBSTITUTED QUINAZOLINE SULFONAMIDES AS THIOREDOXIN INTERACTING PROTEIN (TXNIP) INHIBITORS TXN, TXNL1, TXN2 PTGS1 788/4885PTGS2 1170/4885IRAK1 3059/4885

“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.

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