SCHEMBL25555986

SCHEMBL25555986

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

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 1/20 0.45
▸ PTGS2 P35354 1/20 0.45
▸ SCN10A Q9Y5Y9 2/20 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
▸ DDR1 Q08345 2/20 0.37
▸ IRAK1 P51617 1/20 0.36
▸ BTK Q06187 1/20 0.36
▸ FPR2 P25090 4/20 0.36
▸ EIF2AK4 Q9P2K8 1/20 0.35
▸ FPR1 P21462 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
SCHEMBL25552383 0.90 PTGS1 (0.45) PTGS1PTGS2SCN10ATRPA1KDM4E
SCHEMBL21664272 0.82 ENPP1 (0.47) PTGS1PTGS2SCN10AHRH4BTK
SCHEMBL21664248 0.82 PRKDC (0.47) PTGS1PTGS2KDM4EALDH1A1GAA
SCHEMBL30562879 0.82 ENPP1 (0.47) PTGS1PTGS2SCN10AHRH4BTK
Hydrochloric Acid SCHEMBL30562890 0.81 ENPP1 (0.46) PTGS1PTGS2SCN10AHRH4BTK
SCHEMBL21664264 0.80 PTGS1 (0.45) PTGS1PTGS2SCN10ATRPA1KDM4E
SCHEMBL21664261 0.78 PTGS1 (0.45) PTGS1PTGS2SCN10AHRH4IRAK1
SCHEMBL30562893 0.78 PTGS1 (0.45) PTGS1PTGS2SCN10AHRH4IRAK1
SCHEMBL25552447 0.76 IRAK1 (0.40) PTGS1PTGS2ALDH1A1MAPTTDP1
SCHEMBL30562886 0.72 RAB9A (0.45) PTGS1PTGS2SCN10AHRH4BTK

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
US-11752153-B2 Substituted quinazoline sulfonamides as thioredoxin interacting protein (TXNIP) inhibitors SOUTHERN RESEARCH INSTITUTE (US) 2023-09-12 — — US 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 (2 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 1170/4885SCN10A 3140/4885
US-11752153-B2 Substituted quinazoline sulfonamides as thioredoxin interacting protein (TXNIP) inhibitors TXN, TXNL1, TXN2 PTGS1 788/4885PTGS2 1170/4885SCN10A 3140/4885

“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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