SCHEMBL21355053

SCHEMBL21355053

Cc1cc(C)c(S(=O)(=O)[O-])c(C)c1.N[n+]1ccc(C2CC2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.38
▸ RAPGEF4 Q8WZA2 5/20 0.37
▸ EBP Q15125 4/20 0.34
▸ DHCR7 Q9UBM7 4/20 0.34
▸ F2 P00734 1/20 0.33
▸ PRSS1 P07477 1/20 0.33
▸ PRSS2 P07478 1/20 0.33
▸ PRSS3 P35030 1/20 0.33
▸ SMN1; SMN2 Q16637 3/20 0.32
▸ LMNA P02545 3/20 0.32
▸ MAPT P10636 2/20 0.32
▸ TP53 P04637 2/20 0.32
▸ XBP1 P17861 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ ATM Q13315 1/20 0.32
▸ CA1 P00915 1/20 0.32
▸ CA2 P00918 1/20 0.32
▸ MMP1 P03956 1/20 0.32
▸ MMP2 P08253 1/20 0.32

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
SCHEMBL21358545 0.87 POLB (0.39) POLBSMN1; SMN2LMNAMAPTTP53
SCHEMBL21355177 0.84 POLB (0.39) POLBSMN1; SMN2LMNAMAPTTP53
SCHEMBL1823536 0.84 RAPGEF4 (0.49) POLBRAPGEF4EBPDHCR7F2
SCHEMBL28558866 0.80 POLB (0.47) POLBALDH1A1
SCHEMBL1694111 0.77 RAPGEF4 (0.41) RAPGEF4F2PRSS1PRSS2PRSS3
SCHEMBL21835146 0.77 RAPGEF4 (0.55) RAPGEF4F2PRSS1PRSS2PRSS3
SCHEMBL5236778 0.77 LMNA (0.43) RAPGEF4SMN1; SMN2LMNAMAPTHTT
SCHEMBL1810783 0.76 RAPGEF4 (0.38) RAPGEF4F2PRSS1PRSS2PRSS3
SCHEMBL22228647 0.76 RAPGEF4 (0.39) POLBRAPGEF4F2PRSS1PRSS2
SCHEMBL12539750 0.76 CYP1A2 (0.43) RAPGEF4F2PRSS1PRSS2PRSS3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12441724-B2 Inhibitors of plasma kallikrein and uses thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2025-10-14 — — US disclosed
WO-2024059186-A1 N-((ISOQUINOLIN-6-YL)METHYL)-1H-PYRAZOLE-4-CARBOXAMID DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS FOR THE TREATMENT OF HEREDITARY ANGIOEDEMA TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2024-03-21 — — WO disclosed
US-20230078513-A1 INHIBITORS OF PLASMA KALLIKREIN AND USES THEREOF SHIRE HUMAN GENETIC THERAPIES, INC. 2023-03-16 — — US disclosed
US-11352356-B2 Inhibitors of plasma kallikrein and uses thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2022-06-07 — — US disclosed
EP-3765459-A1 SUBSTITUTED IMIDAZOPYRIDINES AS INHIBITORS OF PLASMA KALLIKREIN AND USES THEREOF Shire Human Genetic Therapies, Inc. (US) 2021-01-20 — — EP disclosed
CN-112135825-A Plasma kallikrein inhibitors and uses thereof 夏尔人类遗传性治疗公司 2020-12-25 — — CN disclosed
US-20200317667-A1 INHIBITORS OF PLASMA KALLIKREIN AND USES THEREOF SHIRE HUMAN GENETIC THERAPIES, INC. 2020-10-08 — — US disclosed
US-10730874-B2 Inhibitors of plasma kallikrein and uses thereof SHIRE HUMAN GENETIC THERAPIES, INC. (US) 2020-08-04 — — US disclosed
WO-2019178129-A1 SUBSTITUTED IMIDAZOPYRIDINES AS INHIBITORS OF PLASMA KALLIKREIN AND USES THEREOF SHIRE HUMAN GENETIC THERAPIES, INC. (US) 2019-09-19 — — WO disclosed
US-20190284182-A1 INHIBITORS OF PLASMA KALLIKREIN AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-09-19 — — 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 (6 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-11352356-B2 Inhibitors of plasma kallikrein and uses thereof KLKB1, KLK1, KLK5 POLB 4589/4885RAPGEF4 3434/4885EBP 4381/4885
US-20190284182-A1 INHIBITORS OF PLASMA KALLIKREIN AND USES THEREOF KLKB1, KLK1, KLK5 POLB 4589/4885RAPGEF4 3434/4885EBP 4381/4885
US-10730874-B2 Inhibitors of plasma kallikrein and uses thereof KLKB1, KLK1, KLK5 POLB 4589/4885RAPGEF4 3434/4885EBP 4381/4885
US-12441724-B2 Inhibitors of plasma kallikrein and uses thereof KLKB1, KLK1, KLK5 POLB 4589/4885RAPGEF4 3434/4885EBP 4381/4885
US-20200317667-A1 INHIBITORS OF PLASMA KALLIKREIN AND USES THEREOF KLKB1, KLK1, KLK5 POLB 4589/4885RAPGEF4 3434/4885EBP 4381/4885
US-20230078513-A1 INHIBITORS OF PLASMA KALLIKREIN AND USES THEREOF KLKB1, KLK1, KLK5 POLB 4589/4885RAPGEF4 3434/4885EBP 4381/4885

“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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