SCHEMBL7647872

SCHEMBL7647872

CCCON=C(N)NOc1cc(C)cc(OS(=O)(=O)c2ccccc2S(=O)(=O)N(CC(=O)O)CC(=O)O)c1

nearest known ligand 0.49

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
F2 P00734 20/20 0.49
PRSS2 P07478 2/20 0.40
CTRC Q99895 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
SCHEMBL7648206 0.89 F2 (0.45) F2
Hydrochloric Acid SCHEMBL6927585 0.85 F2 (0.63) F2PRSS2CTRC
Hydrochloric Acid SCHEMBL7647966 0.85 F2 (0.49) F2PRSS2
SCHEMBL7646916 0.84 F2 (0.45) F2PRSS2CTRC
Hydrochloric Acid SCHEMBL6749548 0.84 F2 (0.42) F2PRSS2CTRC
Hydrochloric Acid SCHEMBL7645850 0.83 F2 (0.44) F2PRSS2CTRC
SCHEMBL6747417 0.81 F2 (0.74) F2PRSS2
SCHEMBL7859473 0.80 F2 (0.45) F2PRSS2CTRC
SCHEMBL7647472 0.79 PDE4A (0.43) F2
Hydrochloric Acid SCHEMBL7646946 0.79 F2 (0.43) F2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20010037039-A1 Aminoguanidines and alkoxyguanidines as protease inhibitors F9, PLG, MMP9 F2 32/4885PRSS2 70/4885CTRC 91/4885

“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.