SCHEMBL6747896

SCHEMBL6747896

Cc1cc(OCCCONC(=N)N)cc(OS(=O)(=O)c2ccccc2S(=O)(=O)N(CCC(=O)O)Cc2ccccc2)c1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
F2 P00734 17/20 0.50
CTRC Q99895 3/20 0.49
HTT P42858 1/20 0.44
PRSS2 P07478 3/20 0.43
F10 P00742 2/20 0.43
LMNA P02545 1/20 0.41
PKM P14618 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL7676592 0.93 F2 (0.49) F2CTRCPRSS2F10TDP1
Hydrochloric Acid SCHEMBL6747655 0.92 F2 (0.48) F2CTRCPRSS2F10TDP1
SCHEMBL7646675 0.92 F2 (0.48) F2CTRCPRSS2F10
Hydrochloric Acid SCHEMBL6749567 0.91 F2 (0.47) F2CTRCPRSS2F10
SCHEMBL6747388 0.88 F2 (0.52) F2CTRCPRSS2F10
SCHEMBL6747898 0.87 F2 (0.66) F2PRSS2
SCHEMBL6750744 0.85 F2 (0.47) F2CTRCPRSS2F10
Hydrochloric Acid SCHEMBL6745864 0.84 F2 (0.47) F2CTRCPRSS2F10
Hydrochloric Acid SCHEMBL6747748 0.84 F2 (0.49) F2CTRCPRSS2F10
SCHEMBL6746098 0.82 F2 (0.43) F2CTRCPRSS2F10LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6730783-B2 REACTING AMINOGUANIDINE WITH CARBONYL COMPOUND TO FORM AMIDINOHYDRAZONE; REDUCTION; REACTING WITH ALKOXYAMINE; GUANIDINYLATION; ANTICOAGULANTS 3-DIMENSIONAL PHARMACEUTICALS, INC. 2004-05-04 US disclosed
US-6706765-B2 ESPECIALLY TRYPSIN-LIKE SERINE PROTEASES, SUCH AS CHYMOTRYPSIN, TRYPSIN, THROMBIN, PLASMIN AND FACTOR XA. 3-DIMENSIONAL PHARMACEUTICALS, INC. 2004-03-16 US disclosed
US-20040002539-A1 Process for preparing aminoguanidines and alkoxyguanidines as protease inhibitors 3-DIMENSIONAL PHARMACEUTICALS, INC. 2004-01-01 US disclosed
US-6638931-B1 Aminoguanidines and alkoxyguanidines as protease inhibitors 3-DIMENSIONAL PHARMACEUTICALS, INC. 2003-10-28 US disclosed
US-20030158252-A1 Aminoguanidines and alkoxyguanidines as protease inhibitors 3-DIMENSIONAL PHARMACEUTICALS, INC. 2003-08-21 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
US-6235778-B1 ANTICOAGULANTS 3-DIMENSIONAL PHARMACEUTICALS, INC. 2001-05-22 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 (3 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 69/4885HTT 2344/4885
US-20030158252-A1 Aminoguanidines and alkoxyguanidines as protease inhibitors PLG, MMP9, F9 F2 27/4885CTRC 112/4885HTT 2560/4885
US-20010037039-A1 Aminoguanidines and alkoxyguanidines as protease inhibitors F9, PLG, MMP9 F2 32/4885CTRC 91/4885HTT 2170/4885

“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.