SCHEMBL21712908

SCHEMBL21712908

COC(=O)c1cc(C)n(COCC[Si](C)(C)C)n1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.39
RAB9A P51151 1/20 0.39
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
AURKA O14965 1/20 0.36
RPS6KB1 P23443 1/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
NPC1 O15118 2/20 0.34
DGAT1 O75907 3/20 0.34
NPSR1 Q6W5P4 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KLKB1 P03952 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
SCHEMBL25184018 0.88 GAA (0.39) GAAKDM4EALDH1A1AURKARPS6KB1
SCHEMBL24589286 0.86 DGAT1 (0.35) GAAKDM4EALDH1A1HSD17B10NPC1
SCHEMBL30027068 0.86 PTGER1 (0.41)
SCHEMBL31201626 0.86 NPC1 (0.35) ALDH1A1AURKARPS6KB1LMNATP53
SCHEMBL21827012 0.85 MAPT (0.37) GAAKDM4EALDH1A1HPGDHSD17B10
SCHEMBL31283369 0.85 KMT2A (0.37) GAARAB9AALDH1A1L3MBTL1NPC1
SCHEMBL22186819 0.84 MAPT (0.34) TP53NPC1DGAT1KLKB1
SCHEMBL28934810 0.84 DGAT1 (0.34) TP53NPC1DGAT1KLKB1
SCHEMBL23495620 0.83 NPC1 (0.32) TP53NPC1DGAT1KLKB1
SCHEMBL31150487 0.82 ALDH1A1 (0.37) GAAKDM4EALDH1A1HPGDHSD17B10

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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2026102212-A1 MACROCYCLIC MCL-1 INHIBITORS VANDERBILT UNIVERSITY (US) 2026-05-15 WO disclosed
EP-3837252-B1 HETEROAROMATIC CARBOXAMIDE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2025-12-10 EP disclosed
EP-4642773-A1 NEW BENZIMIDAZOLE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2025-11-05 EP disclosed
WO-2025082467-A1 IMMUNOMODULATORS 成都先导药物开发股份有限公司 2025-04-24 WO disclosed
US-12221441-B2 Plasma kallikrein inhibitors and uses thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2025-02-11 US disclosed
EP-4477220-A2 PLASMA KALLIKREIN INHIBITORS AND USES THEREOF Takeda Pharmaceutical Company Limited (JP) 2024-12-18 EP disclosed
CN-113039181-B Heteroaromatic carboxamide derivatives as inhibitors of plasma kallikrein 勃林格殷格翰国际有限公司 2024-08-13 CN disclosed
EP-4031547-B1 PLASMA KALLIKREIN INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICALS CO (JP) 2024-07-17 EP disclosed
EP-4031547-B1 PLASMA KALLIKREIN INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICALS CO (JP) 2024-07-17 EP disclosed
WO-2024141444-A1 NEW BENZIMIDAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2024-07-04 WO disclosed
WO-2021160716-A1 HETEROAROMATIC CARBOXAMIDE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2021-08-19 WO disclosed
CN-113039181-A Heteroaromatic carboxamide derivatives as plasma kallikrein inhibitors 勃林格殷格翰国际有限公司 2021-06-25 CN disclosed
WO-2021055621-A1 PLASMA KALLIKREIN INHIBITORS AND USES THEREOF SHIRE HUMAN GENETIC THERAPIES, INC. (US) 2021-03-25 WO disclosed
WO-2021055621-A1 PLASMA KALLIKREIN INHIBITORS AND USES THEREOF SHIRE HUMAN GENETIC THERAPIES, INC. (US) 2021-03-25 WO disclosed
US-20210078999-A1 PLASMA KALLIKREIN INHIBITORS AND USES THEREOF CHARLES RIVER LABORATORIES, INC. 2021-03-18 US disclosed
US-20210078999-A1 PLASMA KALLIKREIN INHIBITORS AND USES THEREOF CHARLES RIVER LABORATORIES, INC. 2021-03-18 US disclosed
US-10695334-B2 Heteroaromatic carboxamide derivatives as plasma kallikrein inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2020-06-30 US disclosed
US-10695334-B2 Heteroaromatic carboxamide derivatives as plasma kallikrein inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2020-06-30 US disclosed
US-20200054617-A1 Heteroaromatic Carboxamide Derivatives as Plasma Kallikrein Inhibitors BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2020-02-20 US disclosed
US-20200054617-A1 Heteroaromatic Carboxamide Derivatives as Plasma Kallikrein Inhibitors BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2020-02-20 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-12221441-B2 Plasma kallikrein inhibitors and uses thereof KLKB1, KLK1, KLK5 GAA 1487/4885RAB9A 3309/4885KDM4E 813/4885
US-20200054617-A1 Heteroaromatic Carboxamide Derivatives as Plasma Kallikrein Inhibitors KLKB1, KLK1, KLK5 GAA 889/4885RAB9A 3986/4885KDM4E 337/4885
US-10695334-B2 Heteroaromatic carboxamide derivatives as plasma kallikrein inhibitors KLKB1, KLK1, KLK5 GAA 889/4885RAB9A 3986/4885KDM4E 337/4885
US-20210078999-A1 PLASMA KALLIKREIN INHIBITORS AND USES THEREOF KLKB1, KLK1, KLK5 GAA 1487/4885RAB9A 3309/4885KDM4E 813/4885

“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.