SCHEMBL21354979

SCHEMBL21354979

COC(=O)c1cc2ncc(C3CC3)cc2n1S(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KLKB1 P03952 1/20 0.47
▸ NOD1 Q9Y239 2/20 0.43
▸ NOD2 Q9HC29 1/20 0.43
▸ MAPK1 P28482 2/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ HTT P42858 2/20 0.38
▸ HSD17B10 Q99714 2/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ TSHR P16473 2/20 0.38
▸ LMNA P02545 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ ALOX5 P09917 1/20 0.37
▸ HPGD P15428 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ GAA P10253 1/20 0.36
▸ OPRM1 P35372 1/20 0.36
▸ OPRD1 P41143 1/20 0.36
▸ CCR6 P51684 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ GBA1 P04062 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
SCHEMBL21355320 0.83 NOD1 (0.46) KLKB1NOD1NOD2KDM4EHTT
SCHEMBL10002846 0.82 NOD1 (0.53) NOD1NOD2MAPK1KDM4EHTT
SCHEMBL21355141 0.80 KLKB1 (0.53) KLKB1NOD1NOD2KDM4EHTT
SCHEMBL21355756 0.78 KLKB1 (0.53) KLKB1NOD1NOD2HTTHSD17B10
SCHEMBL10004273 0.76 NOD2 (0.48) NOD1NOD2MAPK1KDM4ETSHR
SCHEMBL30316927 0.72 NOD1 (0.48) NOD1NOD2KDM4EHTTHSD17B10
SCHEMBL10002626 0.72 NOD1 (0.61) NOD1NOD2KDM4EHTTHSD17B10
SCHEMBL14627380 0.71 NOD1 (0.78) NOD1NOD2HTTHSD17B10SMN1; SMN2
SCHEMBL10003470 0.70 NOD2 (0.51) NOD1NOD2KDM4ESMN1; SMN2TSHR
SCHEMBL10004083 0.70 NOD2 (0.68) NOD1NOD2KDM4EHTTTSHR

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 8 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
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
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
US-20190284182-A1 INHIBITORS OF PLASMA KALLIKREIN AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-09-19 — — 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

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 KLKB1 1/4885NOD1 3068/4885NOD2 4456/4885
US-20190284182-A1 INHIBITORS OF PLASMA KALLIKREIN AND USES THEREOF KLKB1, KLK1, KLK5 KLKB1 1/4885NOD1 3068/4885NOD2 4456/4885
US-10730874-B2 Inhibitors of plasma kallikrein and uses thereof KLKB1, KLK1, KLK5 KLKB1 1/4885NOD1 3068/4885NOD2 4456/4885
US-12441724-B2 Inhibitors of plasma kallikrein and uses thereof KLKB1, KLK1, KLK5 KLKB1 1/4885NOD1 3068/4885NOD2 4456/4885
US-20200317667-A1 INHIBITORS OF PLASMA KALLIKREIN AND USES THEREOF KLKB1, KLK1, KLK5 KLKB1 1/4885NOD1 3068/4885NOD2 4456/4885
US-20230078513-A1 INHIBITORS OF PLASMA KALLIKREIN AND USES THEREOF KLKB1, KLK1, KLK5 KLKB1 1/4885NOD1 3068/4885NOD2 4456/4885

“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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