SCHEMBL17480697

SCHEMBL17480697

CC(C)(C)OC(=O)Nc1ccc(Cl)c(F)c1-c1ccc(C(Cc2ccccc2)c2nc3cc(F)ccc3[nH]2)nc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F11 P03951 2/20 0.44
KLK1 P06870 2/20 0.44
CDK9 P50750 1/20 0.37
LMNA P02545 1/20 0.37
PRCP P42785 3/20 0.36
PTPN1 P18031 1/20 0.35
AAK1 Q2M2I8 2/20 0.35
F9 P00740 5/20 0.34
OPRM1 P35372 1/20 0.34
OPRD1 P41143 1/20 0.34
CTDSP1 Q9GZU7 1/20 0.34
JAK2 O60674 1/20 0.34
ALDH1A1 P00352 1/20 0.34
TP53 P04637 1/20 0.34
HPGD P15428 1/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34
ATM Q13315 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HSD17B10 Q99714 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
SCHEMBL19253868 0.90 F11 (0.48) F11KLK1LMNAPRCPPTPN1
SCHEMBL17480690 0.81 F11 (0.42) F11KLK1LMNAPRCPF9
SCHEMBL17477790 0.81 F11 (0.52) F11KLK1CDK9PTPN1JAK2
SCHEMBL17477816 0.79 F11 (0.51) F11KLK1CDK9LMNAJAK2
SCHEMBL17480695 0.79 F11 (0.52) F11KLK1CDK9AAK1
SCHEMBL17480692 0.75 F9 (0.42) F11KLK1F9
SCHEMBL19138128 0.71 F11 (0.41) F11KLK1AAK1
SCHEMBL17479430 0.71 F11 (0.40) F11KLK1AAK1
SCHEMBL17480684 0.70 LMNA (0.39) LMNAPTPN1AAK1CTDSP1ALDH1A1
SCHEMBL19278133 0.70 F11 (0.51) F11KLK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3180327-B1 FACTOR XIa INHIBITORS MERCK SHARP & DOHME (US) 2019-05-08 EP disclosed
US-10011585-B2 Factor XIa inhibitors MERCK SHARP & DOHME CORP. (US) 2018-07-03 US disclosed
US-20170240523-A1 FACTOR XIa INHIBITORS MERCK SHARP & DOHME CORP. (US) 2017-08-24 US disclosed
WO-2016018701-A1 FACTOR XIa INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-02-04 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 (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-20170240523-A1 FACTOR XIa INHIBITORS F11, SERPINC1, TFPI F11 1/4885KLK1 24/4885CDK9 462/4885
US-10011585-B2 Factor XIa inhibitors F11, SERPINC1, TFPI F11 1/4885KLK1 24/4885CDK9 462/4885

“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.