SCHEMBL6747836

SCHEMBL6747836

Cc1cc(OCC2(C[O])CC2)cc(OS(=O)(=O)c2ccccc2C#N)c1

nearest known ligand 0.63

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
F2 P00734 20/20 0.63
CTRC Q99895 3/20 0.42
PRSS2 P07478 3/20 0.40
F10 P00742 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
SCHEMBL6745802 0.91 F2 (0.65) F2CTRCPRSS2F10
SCHEMBL6749637 0.90 F2 (0.64) F2CTRCPRSS2F10
SCHEMBL6924689 0.88 F2 (0.66) F2CTRCPRSS2F10
SCHEMBL6752156 0.86 F2 (0.71) F2CTRCPRSS2
SCHEMBL8476643 0.84 F2 (0.73) F2CTRCPRSS2F10
Acetic Acid SCHEMBL6745916 0.81 F2 (0.59) F2CTRCPRSS2F10
SCHEMBL6754691 0.80 F2 (0.57) F2CTRCPRSS2F10
SCHEMBL6745920 0.79 F2 (0.62) F2CTRCPRSS2F10
SCHEMBL5672793 0.78 F2 (0.73) F2CTRCPRSS2
SCHEMBL5672845 0.78 F2 (0.71) F2CTRCPRSS2

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
US-20040002539-A1 Process for preparing aminoguanidines and alkoxyguanidines as protease inhibitors 3-DIMENSIONAL PHARMACEUTICALS, INC. 2004-01-01 US disclosed
US-6518310-B2 Non-peptidic; inhibits trypsin-like protease, thrombin and embolus formation; anticoagulant 3-DIMENSIONAL PHARMACEUTICALS, INC. 2003-02-11 US disclosed
EP-0944590-B1 AMINOGUANIDINES AND ALKOXYGUANIDINES AS PROTEASE INHIBITORS DIMENSIONAL PHARM INC (US) 2002-03-20 EP disclosed
US-20010037039-A1 Aminoguanidines and alkoxyguanidines as protease inhibitors 3-DIMENSIONAL PHARMACEUTICALS, INC. 2001-11-01 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-20040002539-A1 Process for preparing aminoguanidines and alkoxyguanidines as protease inhibitors F9, PLG, MMP9 F2 27/4885CTRC 69/4885PRSS2 65/4885
US-20010037039-A1 Aminoguanidines and alkoxyguanidines as protease inhibitors F9, PLG, MMP9 F2 32/4885CTRC 91/4885PRSS2 70/4885

“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.