SCHEMBL19874091

SCHEMBL19874091

C[C@@H]1C[C@H]1CC(C(=O)Nc1ccc(C(=O)OC(C)(C)C)cc1)c1ccc(Br)cn1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ F11 P03951 8/20 0.37
▸ KLKB1 P03952 4/20 0.37
▸ KLK1 P06870 1/20 0.36
▸ BCL2 P10415 5/20 0.36
▸ BECN1 Q14457 3/20 0.36
▸ KDM4E B2RXH2 1/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ STAT3 P40763 2/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ HTR1A P08908 1/20 0.34
▸ HTR7 P34969 1/20 0.34

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
SCHEMBL19874090 1.00 F11 (0.37) F11KLKB1KLK1BCL2BECN1
SCHEMBL30518004 1.00 F11 (0.37) F11KLKB1KLK1BCL2BECN1
SCHEMBL19886605 0.90 F11 (0.44) F11KLKB1KLK1BCL2BECN1
SCHEMBL30517942 0.88 F11 (0.41) F11KLKB1KLK1BCL2BECN1
SCHEMBL19874158 0.87 F11 (0.46) F11KLKB1KLK1KDM4ERAB9A
SCHEMBL19874161 0.87 F11 (0.46) F11KLKB1KLK1KDM4ERAB9A
SCHEMBL19874124 0.83 F11 (0.35) F11KLK1BCL2BECN1KDM4E
SCHEMBL17295748 0.82 MEN1 (0.47) KDM4ERAB9AMAPT
SCHEMBL17295757 0.79 F11 (0.46) F11KLKB1KLK1ALDH1A1SMN1; SMN2
SCHEMBL19874064 0.78 F11 (0.60) F11KLKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3500556-B1 PYRIDINE-1-OXIDE DERIVATIVES AND THEIR USE AS FACTOR XIA INHIBITORS MERCK SHARP & DOHME LLC (US) 2023-08-02 — — EP disclosed
EP-3500556-A1 PYRIDINE-1-OXIDE DERIVATIVES AND THEIR USE AS FACTOR XIA INHIBITORS Merck Sharp & Dohme Corp. (US) 2019-06-26 — — EP disclosed
US-10143681-B2 Factor XIa inhibitors MERCK SHARP & DOHME CORP. (US) 2018-12-04 — — US disclosed
WO-2018039094-A1 PYRIDINE-1-OXIDE DERIVATIVES AND THEIR USE AS FACTOR XIA INHIBITORS MERCK SHARP & DOHME CORP. (US) 2018-03-01 — — WO disclosed
US-20180050022-A1 FACTOR XIa INHIBITORS MERCK SHARP & DOHME CORP (US) 2018-02-22 — — 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 (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-10143681-B2 Factor XIa inhibitors F11, F2, TFPI F11 1/4885KLKB1 15/4885KLK1 25/4885
US-20180050022-A1 FACTOR XIa INHIBITORS F11, F2, TFPI F11 1/4885KLKB1 15/4885KLK1 25/4885

“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.

Send feedback