SCHEMBL23755575

SCHEMBL23755575

COC(=O)c1cc(F)c[n+](N)c1.Cc1cc(C)c(S(=O)(=O)[O-])c(C)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 3/20 0.37
▸ PRSS1 P07477 3/20 0.37
▸ PRSS2 P07478 3/20 0.37
▸ PRSS3 P35030 3/20 0.37
▸ POLB P06746 1/20 0.36
▸ CYP2C9 P11712 3/20 0.35
▸ CA1 P00915 2/20 0.34
▸ CA2 P00918 2/20 0.34
▸ MMP1 P03956 1/20 0.34
▸ MMP2 P08253 1/20 0.34
▸ MMP9 P14780 1/20 0.34
▸ MMP8 P22894 1/20 0.34
▸ MMP13 P45452 1/20 0.34
▸ MAPT P10636 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ HPGD P15428 2/20 0.33
▸ TCF4 P15884 1/20 0.33
▸ CTNNB1 P35222 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ RAB9A P51151 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
SCHEMBL29942396 1.00 F2 (0.37) F2PRSS1PRSS2PRSS3POLB
SCHEMBL25283314 0.85 F2 (0.37) F2PRSS1PRSS2PRSS3POLB
SCHEMBL23755933 0.85 F2 (0.37) F2PRSS1PRSS2PRSS3POLB
SCHEMBL29942313 0.83 CA12 (0.41) POLBCA1CA2MAPTALDH1A1
SCHEMBL23756490 0.83 CA12 (0.41) POLBCA1CA2MAPTALDH1A1
SCHEMBL30204282 0.81 TCF4 (0.40) F2PRSS1PRSS2PRSS3POLB
SCHEMBL5230240 0.81 TCF4 (0.40) F2PRSS1PRSS2PRSS3POLB
SCHEMBL23320398 0.77 RAPGEF4 (0.35) F2PRSS1PRSS2PRSS3CA1
SCHEMBL31309368 0.76 CYP2C9 (0.36) F2PRSS1PRSS2PRSS3POLB
SCHEMBL23320425 0.76 CYP2C9 (0.43) F2PRSS1PRSS2PRSS3POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4103559-B1 HETEROCYCLIC PAD4 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2026-03-04 — — EP disclosed
US-12473304-B2 Heterocyclic PAD4 inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2025-11-18 — — US disclosed
US-20250136607-A1 PAD4 INHIBITORS AND USE THEREOF REGOR PHARMACEUTICALS, INC. 2025-05-01 — — US disclosed
US-20230167131-A1 HETEROCYCLIC PAD4 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2023-06-01 — — US disclosed
EP-4103559-A1 HETEROCYCLIC PAD4 INHIBITORS Bristol-Myers Squibb Company (US) 2022-12-21 — — EP disclosed
CN-115348961-A Heterocyclic PAD4 inhibitors 百时美施贵宝公司 2022-11-15 — — CN disclosed
WO-2021163254-A1 HETEROCYCLIC PAD4 INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2021-08-19 — — WO 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 (3 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-12473304-B2 Heterocyclic PAD4 inhibitors PADI6, PADI4, PADI1 F2 1669/4885PRSS1 684/4885PRSS2 1536/4885
US-20250136607-A1 PAD4 INHIBITORS AND USE THEREOF PADI4, PADI6, PADI2 F2 4604/4885PRSS1 394/4885PRSS2 749/4885
US-20230167131-A1 HETEROCYCLIC PAD4 INHIBITORS PADI4, PADI2, PADI6 F2 2631/4885PRSS1 1019/4885PRSS2 1455/4885

“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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