SCHEMBL21664412

SCHEMBL21664412

CS(=O)(=O)NCC1CCCN(c2ncnc3cc(C#N)c(C(F)(F)F)cc23)C1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ENPP1 P22413 8/20 0.45
▸ PTGS1 P23219 1/20 0.39
▸ PTGS2 P35354 1/20 0.39
▸ PRKDC P78527 3/20 0.38
▸ PDE10A Q9Y233 2/20 0.38
▸ SIRT2 Q8IXJ6 1/20 0.38
▸ SIRT1 Q96EB6 1/20 0.38
▸ SIRT3 Q9NTG7 1/20 0.38
▸ CNR2 P34972 1/20 0.37
▸ KHK P50053 1/20 0.37
▸ JAK2 O60674 1/20 0.37
▸ JAK3 P52333 1/20 0.37
▸ DDR1 Q08345 2/20 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
SCHEMBL21664259 0.89 ENPP1 (0.47) ENPP1PRKDCPDE10AJAK2JAK3
SCHEMBL21664292 0.88 ENPP1 (0.48) ENPP1PTGS1PTGS2PRKDCPDE10A
SCHEMBL30562936 0.87 ENPP1 (0.47) ENPP1PRKDCPDE10AJAK2JAK3
SCHEMBL21664351 0.87 ENPP1 (0.47) ENPP1PRKDCPDE10AJAK2JAK3
SCHEMBL21664293 0.87 ENPP1 (0.47) ENPP1PRKDCPDE10AJAK2JAK3
SCHEMBL21664262 0.87 ENPP1 (0.49) ENPP1PTGS1PTGS2PRKDCPDE10A
SCHEMBL21664352 0.87 ENPP1 (0.47) ENPP1PRKDCPDE10AJAK2JAK3
SCHEMBL30562932 0.87 ENPP1 (0.49) ENPP1PTGS1PTGS2PRKDCPDE10A
SCHEMBL25552391 0.86 ENPP1 (0.47) ENPP1PTGS1PTGS2PRKDCPDE10A
Hydrochloric Acid SCHEMBL30562912 0.86 ENPP1 (0.47) ENPP1PRKDCPDE10AJAK2JAK3

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
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
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 (4 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 ENPP1 2457/4885PTGS1 387/4885PTGS2 791/4885
US-11524010-B2 Substituted quinazoline sulfonamides as thioredoxin interacting protein (TXNIP) inhibitors TXN, TXNL1, TXN2 ENPP1 2704/4885PTGS1 788/4885PTGS2 1170/4885
US-20210369713-A1 SUBSTITUTED QUINAZOLINE SULFONAMIDES AS THIOREDOXIN INTERACTING PROTEIN (TXNIP) INHIBITORS TXN, TXNL1, TXN2 ENPP1 2704/4885PTGS1 788/4885PTGS2 1170/4885
US-20230172932-A1 SUBSTITUTED QUINAZOLINE SULFONAMIDES AS THIOREDOXIN INTERACTING PROTEIN (TXNIP) INHIBITORS TXN, TXNL1, TXN2 ENPP1 2704/4885PTGS1 788/4885PTGS2 1170/4885

“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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