SCHEMBL25552447

SCHEMBL25552447

Cc1ccc2c(c1)c(N1CCCC(CNS(C)(=O)=O)C1)nc[n+]2[O-]

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IRAK1 P51617 1/20 0.40
▸ AURKA O14965 2/20 0.39
▸ AURKB Q96GD4 2/20 0.39
▸ PTGS1 P23219 1/20 0.36
▸ PTGS2 P35354 1/20 0.36
▸ ENPP1 P22413 2/20 0.35
▸ PIK3CD O00329 1/20 0.35
▸ PIK3R1 P27986 1/20 0.35
▸ PIK3CA P42336 1/20 0.35
▸ PIK3CB P42338 1/20 0.35
▸ NPC1 O15118 1/20 0.34
▸ RECQL P46063 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ GRM4 Q14833 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ SMO Q99835 1/20 0.34
▸ MAPT P10636 2/20 0.33
▸ NAMPT P43490 2/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33

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 0.87 PTGS1 (0.45) IRAK1AURKAAURKBPTGS1PTGS2
SCHEMBL25551755 0.81 ENPP1 (0.49) IRAK1ENPP1NPC1RECQLRAB9A
SCHEMBL21664334 0.81 ENPP1 (0.49) IRAK1ENPP1NPC1RECQLRAB9A
SCHEMBL25555986 0.76 PTGS1 (0.45) IRAK1PTGS1PTGS2MAPTTDP1
SCHEMBL25551950 0.76 IRAK1 (0.39) IRAK1AURKAAURKBPTGS1PTGS2
SCHEMBL25551955 0.74 ENPP1 (0.44) IRAK1AURKAAURKBPTGS1PTGS2
SCHEMBL21664309 0.74 LMNA (0.50) IRAK1ENPP1RAB9ALMNA
SCHEMBL25551829 0.72 ENPP1 (0.47) ENPP1RAB9ATDP1ALDH1A1MEN1
SCHEMBL25552086 0.72 ENPP1 (0.53) IRAK1AURKAAURKBENPP1PRKAB2
SCHEMBL24064739 0.72 ENPP1 (0.48) IRAK1ENPP1NPSR1ALDH1A1

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 IRAK1 3059/4885AURKA 4884/4885AURKB 4861/4885
US-11752153-B2 Substituted quinazoline sulfonamides as thioredoxin interacting protein (TXNIP) inhibitors TXN, TXNL1, TXN2 IRAK1 3059/4885AURKA 4884/4885AURKB 4861/4885

“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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