SCHEMBL17477807

SCHEMBL17477807

O=C(O)c1ccc2[nH]c([C@@H](Cc3ccccc3)c3ccc(-c4c(F)ccc(Cl)c4F)c[n+]3[O-])nc2c1

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
F11 P03951 19/20 0.58
KLK1 P06870 5/20 0.58
KLKB1 P03952 8/20 0.42
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40
CRHBP P24387 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40
CRHR2 Q13324 1/20 0.40

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
SCHEMBL17477793 1.00 F11 (0.58) F11KLK1KLKB1MEN1MAPT
SCHEMBL17477791 1.00 F11 (0.58) F11KLK1KLKB1MEN1MAPT
SCHEMBL17480784 0.95 F11 (0.52) F11KLK1KLKB1
SCHEMBL17480787 0.95 F11 (0.52) F11KLK1KLKB1
SCHEMBL20979584 0.91 F11 (0.49) F11KLK1KLKB1MEN1MAPT
SCHEMBL20979725 0.91 F11 (0.49) F11KLK1KLKB1MEN1MAPT
SCHEMBL17481099 0.90 F11 (0.48) F11KLK1KLKB1MEN1MAPT
SCHEMBL20979650 0.86 F11 (0.43) F11KLK1MEN1MAPTCRHBP
SCHEMBL17480788 0.86 F11 (0.45) F11KLK1KLKB1MEN1MAPT
SCHEMBL17481104 0.83 F11 (0.42) 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 6 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
EP-3180327-A1 FACTOR XIa INHIBITORS Merck Sharp & Dohme Corp. (US) 2017-06-21 EP disclosed
WO-2016018701-A1 FACTOR XIa INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-02-04 WO 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 24/4885KLKB1 14/4885
US-10011585-B2 Factor XIa inhibitors F11, SERPINC1, TFPI F11 1/4885KLK1 24/4885KLKB1 14/4885

“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.