SCHEMBL21664261

SCHEMBL21664261

CS(=O)(=O)NCC1CCCN(c2ncnc3c(O)cc(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
▸ ENPP1 P22413 2/20 0.42
▸ HRH4 Q9H3N8 2/20 0.41
▸ BTK Q06187 4/20 0.40
▸ SCN10A Q9Y5Y9 2/20 0.39
▸ NAMPT P43490 2/20 0.37
▸ KHK P50053 1/20 0.37
▸ RPS6KB1 P23443 1/20 0.36
▸ AKT1 P31749 1/20 0.36
▸ IRAK1 P51617 1/20 0.36
▸ PIK3CD O00329 1/20 0.36
▸ PIK3R1 P27986 1/20 0.36
▸ PIK3CA P42336 1/20 0.36
▸ PIK3CB P42338 1/20 0.36
▸ SIRT2 Q8IXJ6 1/20 0.36
▸ SIRT1 Q96EB6 1/20 0.36
▸ SIRT3 Q9NTG7 1/20 0.36
▸ JAK2 O60674 1/20 0.36
▸ JAK1 P23458 1/20 0.36

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
SCHEMBL30562893 1.00 PTGS1 (0.45) PTGS1PTGS2ENPP1HRH4BTK
SCHEMBL25551955 0.87 ENPP1 (0.44) PTGS1PTGS2ENPP1HRH4BTK
SCHEMBL26554820 0.85 HRH4 (0.42) PTGS1PTGS2HRH4BTKSCN10A
SCHEMBL21664272 0.84 ENPP1 (0.47) PTGS1PTGS2ENPP1HRH4BTK
SCHEMBL30562879 0.84 ENPP1 (0.47) PTGS1PTGS2ENPP1HRH4BTK
Hydrochloric Acid SCHEMBL30562890 0.83 ENPP1 (0.46) PTGS1PTGS2ENPP1HRH4BTK
SCHEMBL21664262 0.83 ENPP1 (0.49) PTGS1PTGS2ENPP1SCN10ASIRT2
SCHEMBL30562932 0.83 ENPP1 (0.49) PTGS1PTGS2ENPP1SCN10ASIRT2
SCHEMBL21664248 0.82 PRKDC (0.47) PTGS1PTGS2ENPP1HRH4BTK
SCHEMBL21664314 0.79 AURKA (0.41) ENPP1BTKNAMPTKHKRPS6KB1

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 5 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
US-11524010-B2 Substituted quinazoline sulfonamides as thioredoxin interacting protein (TXNIP) inhibitors SOUTHERN RESEARCH INSTITUTE (US) 2022-12-13 — — US disclosed
US-20210369713-A1 SUBSTITUTED QUINAZOLINE SULFONAMIDES AS THIOREDOXIN INTERACTING PROTEIN (TXNIP) INHIBITORS SOUTHERN RESEARCH INSTITUTE (US) 2021-12-02 — — US disclosed
US-20200038402-A1 SUBSTITUTED QUINAZOLINE SULFONAMIDES AS THIOREDOXIN INTERACTING PROTEIN (TXNIP) INHIBITORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2020-02-06 — — 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 (5 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-20200038402-A1 SUBSTITUTED QUINAZOLINE SULFONAMIDES AS THIOREDOXIN INTERACTING PROTEIN (TXNIP) INHIBITORS TXN, TXN2, TXNRD1 PTGS1 387/4885PTGS2 791/4885ENPP1 2457/4885
US-11524010-B2 Substituted quinazoline sulfonamides as thioredoxin interacting protein (TXNIP) inhibitors TXN, TXNL1, TXN2 PTGS1 788/4885PTGS2 1170/4885ENPP1 2704/4885
US-20210369713-A1 SUBSTITUTED QUINAZOLINE SULFONAMIDES AS THIOREDOXIN INTERACTING PROTEIN (TXNIP) INHIBITORS TXN, TXNL1, TXN2 PTGS1 788/4885PTGS2 1170/4885ENPP1 2704/4885
US-20230172932-A1 SUBSTITUTED QUINAZOLINE SULFONAMIDES AS THIOREDOXIN INTERACTING PROTEIN (TXNIP) INHIBITORS TXN, TXNL1, TXN2 PTGS1 788/4885PTGS2 1170/4885ENPP1 2704/4885
US-11752153-B2 Substituted quinazoline sulfonamides as thioredoxin interacting protein (TXNIP) inhibitors TXN, TXNL1, TXN2 PTGS1 788/4885PTGS2 1170/4885ENPP1 2704/4885

“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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