SCHEMBL6749698

SCHEMBL6749698

Cc1cc(OCCCON)cc(OS(=O)(=O)c2ccccc2S(=O)(=O)NCc2ccncc2)c1

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
F2 P00734 17/20 0.50
PRSS2 P07478 4/20 0.49
CTRC Q99895 4/20 0.49
HTT P42858 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
LMNA P02545 1/20 0.44
NR2F2 P24468 1/20 0.44

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
SCHEMBL7066207 0.91 F2 (0.49) F2PRSS2CTRCHTTSMN1; SMN2
SCHEMBL6749278 0.88 F2 (0.51) F2PRSS2CTRC
SCHEMBL6749289 0.88 F2 (0.69) F2PRSS2
SCHEMBL6747769 0.85 F2 (0.45) F2PRSS2CTRCHTTSMN1; SMN2
SCHEMBL6747715 0.82 F2 (0.42) F2PRSS2CTRCHTTSMN1; SMN2
SCHEMBL6747392 0.80 F2 (0.72) F2PRSS2CTRC
SCHEMBL6749804 0.79 F2 (0.50) F2PRSS2CTRCLMNA
SCHEMBL7650082 0.77 F2 (0.47) F2HTTSMN1; SMN2
SCHEMBL6750719 0.76 F2 (0.73) F2PRSS2CTRC
SCHEMBL6749583 0.76 F2 (0.77) F2PRSS2CTRC

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 6 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
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 (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 27/4885PRSS2 65/4885CTRC 69/4885
US-20030158252-A1 Aminoguanidines and alkoxyguanidines as protease inhibitors PLG, MMP9, F9 F2 27/4885PRSS2 70/4885CTRC 112/4885

“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.