SCHEMBL6769780

SCHEMBL6769780

O=C(O)c1cc(C(F)(F)F)nn1-c1cc2ccccc2cc1F

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
F10 P00742 11/20 0.55
KLKB1 P03952 5/20 0.51
GRN P28799 1/20 0.48
SORT1 Q99523 1/20 0.48
KCNJ6 P48051 1/20 0.42
KCNJ5 P48544 1/20 0.42
KCNJ3 P48549 1/20 0.42
PTGS1 P23219 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
SCHEMBL6761636 0.81 F10 (0.56) F10
SCHEMBL950904 0.80 GRN (0.72) KLKB1GRNSORT1KCNJ6KCNJ5
SCHEMBL950585 0.80 KLKB1 (0.52) KLKB1GRNSORT1PTGS1
SCHEMBL27520725 0.78 KLKB1 (0.44) F10KLKB1GRNSORT1
SCHEMBL28310655 0.77 KLKB1 (0.46) F10KLKB1GRNSORT1KCNJ6
SCHEMBL25428227 0.76 KLKB1 (0.52) F10KLKB1GRNSORT1KCNJ6
SCHEMBL29766798 0.76 KLKB1 (0.52) F10KLKB1GRNSORT1KCNJ6
SCHEMBL8406109 0.75 F10 (0.76) F10KLKB1
SCHEMBL4474291 0.74 KLKB1 (0.47) F10KLKB1GRNSORT1
SCHEMBL21462630 0.74 KLKB1 (0.59) KLKB1GRNSORT1PTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040116399-A1 Inhibitors of factor Xa MILLENNIUM PHARMACEUTICALS, INC. 2004-06-17 US disclosed
US-6632815-B2 Show selectivity for factor Xa versus other proteases of coagulation or the fibrinolytic cascades MILLENNIUM PHARMACEUTICALS, INC. 2003-10-14 US disclosed
US-20020091116-A1 Show selectivity for factor Xa versus other proteases of coagulation or the fibrinolytic cascades MILLENNIUM PHARMACEUTICALS, INC. 2002-07-11 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 (1 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-20020091116-A1 Show selectivity for factor Xa versus other proteases of coagulation or the fibrinolytic cascades SERPINC1, TFPI, F2 F10 11/4885KLKB1 67/4885GRN 530/4885

“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.