SCHEMBL17480786

SCHEMBL17480786

Nc1ccc(Cl)cc1-c1ccc(C(CC2CC2)c2nc3cc(C(=O)O)ccc3[nH]2)nc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
F11 P03951 7/20 0.43
KLK1 P06870 3/20 0.43
DGAT1 O75907 5/20 0.37
MAP4K4 O95819 3/20 0.36
CHEK2 O96017 2/20 0.35
SOAT1 P35610 2/20 0.35
KCNH2 Q12809 3/20 0.34
KLKB1 P03952 3/20 0.34
CDH1 P12830 1/20 0.34
APC P25054 1/20 0.34
CTNNB1 P35222 1/20 0.34
TCF7L2 Q9NQB0 1/20 0.34
CSNK2A2 P19784 1/20 0.34
CSNK2B P67870 1/20 0.34
CYP2C8 P10632 1/20 0.34
ADORA2A P29274 1/20 0.34
IDO1 P14902 1/20 0.33

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
SCHEMBL17480789 0.91 F11 (0.39) F11KLK1DGAT1SOAT1KCNH2
SCHEMBL17480783 0.84 F11 (0.52) F11KLK1KLKB1
SCHEMBL19138144 0.77 F11 (0.42) F11KLK1DGAT1KLKB1
SCHEMBL17480702 0.76 F11 (0.40) F11KLK1KLKB1
SCHEMBL19138110 0.76 F11 (0.47) F11KLK1KLKB1
SCHEMBL27157234 0.75 F11 (0.48) F11KLK1MAP4K4KLKB1
SCHEMBL29903188 0.75 F11 (0.48) F11KLK1MAP4K4KLKB1
SCHEMBL19138088 0.74 F11 (0.41) F11KLK1DGAT1KLKB1
SCHEMBL19253880 0.71 MMP2 (0.38) F11KLKB1
SCHEMBL20953990 0.71 F11 (0.57) F11KLK1KLKB1

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 7 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
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-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
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 24/4885DGAT1 2288/4885
US-10011585-B2 Factor XIa inhibitors F11, SERPINC1, TFPI F11 1/4885KLK1 24/4885DGAT1 2288/4885

“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.