SCHEMBL16972004

SCHEMBL16972004

CC1(C)OB(c2c(C(F)F)ccc(Cl)c2F)OC1(C)C

nearest known ligand 0.37

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
LPL P06858 2/20 0.37
LIPG Q9Y5X9 2/20 0.37
AAK1 Q2M2I8 1/20 0.30

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
SCHEMBL18152996 0.80 LPL (0.41) LPLLIPG
SCHEMBL18797560 0.78 LPL (0.40) LPLLIPG
SCHEMBL24069532 0.75 LPL (0.38) LPLLIPGAAK1
SCHEMBL16488825 0.75 LPL (0.33) LPLLIPG
SCHEMBL2411421 0.74 LPL (0.44) LPLLIPGAAK1
SCHEMBL21272121 0.74 EGFR (0.38) LPLLIPG
SCHEMBL5781176 0.74 LPL (0.44) LPLLIPGAAK1
SCHEMBL29465741 0.74 LPL (0.44) LPLLIPGAAK1
SCHEMBL1477534 0.74 LPL (0.42) LPLLIPG
SCHEMBL31183208 0.74 LPL (0.42) LPLLIPG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12459927-B2 Plasma kallikrein inhibitors MERCK SHARP & DOHME LLC (US) 2025-11-04 US disclosed
EP-4210694-B1 PLASMA KALLIKREIN INHIBITORS MERCK SHARP & DOHME LLC (US) 2025-10-15 EP disclosed
US-12428421-B2 Pyrimidinones as factor XIA inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2025-09-30 US disclosed
US-20230416227-A1 PLASMA KALLIKREIN INHIBITORS MERCK SHARP & DOHME LLC (US) 2023-12-28 US disclosed
CN-116987080-A Macrocyclic compounds with heterocyclic P2' groups as factor XIA inhibitors 百时美施贵宝公司 2023-11-03 CN disclosed
US-20230286958-A1 PLASMA KALLIKREIN INHIBITORS MERCK SHARP & DOHME LLC (US) 2023-09-14 US disclosed
US-20230286958-A1 PLASMA KALLIKREIN INHIBITORS MERCK SHARP & DOHME LLC (US) 2023-09-14 US disclosed
EP-4210694-A1 PLASMA KALLIKREIN INHIBITORS Merck Sharp & Dohme LLC (US) 2023-07-19 EP disclosed
EP-4164634-A1 PLASMA KALLIKREIN INHIBITORS Merck Sharp & Dohme LLC (US) 2023-04-19 EP disclosed
CN-115989224-A Plasma kallikrein inhibitors 默沙东有限责任公司 2023-04-18 CN disclosed
US-20160368923-A1 PYRIMIDINONES AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-12-22 US disclosed
EP-3099687-A1 MACROCYCLES WITH HETROCYCLIC P2' GROUPS AS FACTOR XIA INHIBITORS Bristol-Myers Squibb Company (US) 2016-12-07 EP disclosed
US-9453018-B2 Pyrimidinones as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-09-27 US disclosed
US-9453018-B2 Pyrimidinones as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-09-27 US disclosed
US-9453018-B2 Pyrimidinones as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-09-27 US disclosed
US-20160096839-A1 PYRIMIDINONES AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2016-04-07 US disclosed
US-20160096839-A1 PYRIMIDINONES AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2016-04-07 US disclosed
US-20160096839-A1 PYRIMIDINONES AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2016-04-07 US disclosed
WO-2015116886-A1 MACROCYCLES WITH HETROCYCLIC P2' GROUPS AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2015-08-06 WO disclosed
WO-2015116886-A1 MACROCYCLES WITH HETROCYCLIC P2' GROUPS AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2015-08-06 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-20230416227-A1 PLASMA KALLIKREIN INHIBITORS KLKB1, SERPINE1, KLK5 LPL 994/4885LIPG 86/4885AAK1 450/4885
US-20160368923-A1 PYRIMIDINONES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F2 LPL 4048/4885LIPG 2208/4885AAK1 943/4885
US-12428421-B2 Pyrimidinones as factor XIA inhibitors TFPI, TFPI2, F2 LPL 4048/4885LIPG 2208/4885AAK1 943/4885
US-20230286958-A1 PLASMA KALLIKREIN INHIBITORS KLKB1, SERPINE1, KLK5 LPL 994/4885LIPG 86/4885AAK1 450/4885
US-20160096839-A1 PYRIMIDINONES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F2 LPL 4048/4885LIPG 2208/4885AAK1 943/4885
US-12459927-B2 Plasma kallikrein inhibitors KLKB1, SERPINE1, KLK5 LPL 994/4885LIPG 86/4885AAK1 450/4885

“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.