SCHEMBL23727436

SCHEMBL23727436

Cc1ccc(S(=O)(=O)OCCCCc2ccccc2Br)cc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ CYP2D6 P10635 1/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ THPO P40225 1/20 0.45
▸ ALDH1A1 P00352 2/20 0.44
▸ CYP24A1 Q07973 2/20 0.40
▸ PSMD10 O75832 1/20 0.38
▸ VDR P11473 1/20 0.38
▸ KMT2A Q03164 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ TAAR1 Q96RJ0 3/20 0.36
▸ POLB P06746 1/20 0.36
▸ CA12 O43570 1/20 0.36
▸ CA1 P00915 1/20 0.36
▸ CA9 Q16790 1/20 0.36
▸ FKBP1A P62942 1/20 0.36
▸ KEAP1 Q14145 1/20 0.35
▸ NFE2L2 Q16236 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
SCHEMBL30125726 1.00 LMNA (0.45) LMNACYP3A4CYP2D6MAPK1THPO
SCHEMBL5748460 0.90 LMNA (0.48) LMNACYP3A4CYP2D6MAPK1THPO
SCHEMBL18926552 0.86 PSMD10 (0.45) CYP3A4ALDH1A1CYP24A1PSMD10VDR
SCHEMBL6098372 0.84 ALDH1A1 (0.48) LMNACYP3A4CYP2D6MAPK1THPO
SCHEMBL18926562 0.81 CNR2 (0.44) CYP3A4ALDH1A1CYP24A1PSMD10VDR
SCHEMBL890725 0.81 ALDH1A1 (0.50) CYP3A4CYP2D6ALDH1A1CYP24A1PSMD10
SCHEMBL2310681 0.80 FKBP1A (0.51) LMNACYP3A4ALDH1A1CYP24A1KMT2A
SCHEMBL24456702 0.80 ALDH1A1 (0.48) LMNACYP3A4CYP2D6MAPK1THPO
Water SCHEMBL17044635 0.80 CA12 (0.41) LMNAALDH1A1CYP24A1PSMD10VDR
SCHEMBL7655861 0.80 ALDH1A1 (0.46) LMNAMAPK1ALDH1A1CYP24A1PSMD10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12492202-B2 Macrocyclic PAD4 inhibitors useful as immunosuppressant BRISTOL-MYERS SQUIBB COMPANY (US) 2025-12-09 — — US disclosed
CN-115298175-B Macrocyclic PAD4 inhibitors useful as immunosuppressants 百时美施贵宝公司 2024-05-07 — — CN disclosed
US-20230203039-A1 MACROCYCLIC PAD4 INHIBITORS USEFUL AS IMMUNOSUPPRESSANT BRISTOL MYERS SQUIBB CO (US) 2023-06-29 — — US disclosed
EP-4100405-A1 MACROCYCLIC PAD4 INHIBITORS USEFUL AS IMMUNOSUPPRESSANT Bristol-Myers Squibb Company (US) 2022-12-14 — — EP disclosed
CN-115298175-A Macrocyclic PAD4 inhibitors useful as immunosuppressants 百时美施贵宝公司 2022-11-04 — — CN disclosed
WO-2021158840-A1 MACROCYCLIC PAD4 INHIBITORS USEFUL AS IMMUNOSUPPRESSANT BRISTOL-MYERS SQUIBB COMPANY (US) 2021-08-12 — — 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 (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-12492202-B2 Macrocyclic PAD4 inhibitors useful as immunosuppressant PADI4, PADI1, PADI2 LMNA 4757/4885CYP3A4 85/4885CYP2D6 429/4885
US-20230203039-A1 MACROCYCLIC PAD4 INHIBITORS USEFUL AS IMMUNOSUPPRESSANT PADI4, PADI1, PADI2 LMNA 4757/4885CYP3A4 85/4885CYP2D6 429/4885

“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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