SCHEMBL19874124

SCHEMBL19874124

CC(C)(C)OC(=O)c1ccc(NC(=O)C(CC2CC3(C2)OCCO3)c2ccc(Br)cn2)cc1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ F11 P03951 1/20 0.35
▸ KLK1 P06870 1/20 0.35
▸ BCL2 P10415 8/20 0.33
▸ BECN1 Q14457 6/20 0.33
▸ RAB9A P51151 4/20 0.32
▸ MAPT P10636 2/20 0.32
▸ KDM4E B2RXH2 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ DGAT1 O75907 1/20 0.32
▸ NPC1 O15118 2/20 0.32
▸ FPR3 P25089 1/20 0.31
▸ FPR2 P25090 1/20 0.31
▸ AAK1 Q2M2I8 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ HTR1A P08908 1/20 0.31
▸ HTR7 P34969 1/20 0.31
▸ STAT3 P40763 1/20 0.31

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
SCHEMBL19886605 0.88 F11 (0.44) F11KLK1BCL2BECN1RAB9A
SCHEMBL19874311 0.87 F11 (0.45) F11KLK1RAB9ANPC1FPR2
SCHEMBL30517942 0.86 F11 (0.41) F11KLK1BCL2BECN1RAB9A
SCHEMBL19874090 0.83 F11 (0.37) F11KLK1BCL2BECN1RAB9A
SCHEMBL30518004 0.83 F11 (0.37) F11KLK1BCL2BECN1RAB9A
SCHEMBL19874091 0.83 F11 (0.37) F11KLK1BCL2BECN1RAB9A
SCHEMBL19874330 0.81 F11 (0.52) F11
SCHEMBL17295757 0.78 F11 (0.46) F11KLK1MEN1KMT2ANPC1
SCHEMBL17295748 0.77 MEN1 (0.47) RAB9AMAPTKDM4EMEN1KMT2A
SCHEMBL19874085 0.77 F11 (0.45) F11KLK1RAB9AMEN1KMT2A

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 1/4885KLK1 25/4885BCL2 3209/4885
US-20180050022-A1 FACTOR XIa INHIBITORS F11, F2, TFPI F11 1/4885KLK1 25/4885BCL2 3209/4885

“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