SCHEMBL6750486

SCHEMBL6750486

Cc1cc(O)cc(OS(=O)(=O)c2ccccc2S(=O)(=O)N2CCOCC2)c1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
NPC1 O15118 1/20 0.44
F2 P00734 3/20 0.43
CNR1 P21554 3/20 0.43
ACHE P22303 1/20 0.43
NPSR1 Q6W5P4 2/20 0.43
F10 P00742 1/20 0.43
PRSS2 P07478 1/20 0.43
MAPK1 P28482 1/20 0.42
KDM4E B2RXH2 1/20 0.42
LMNA P02545 1/20 0.41
KMT2A Q03164 1/20 0.41
REV1 Q9UBZ9 1/20 0.41
PKM P14618 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
SCHEMBL6928378 0.84 F2 (0.50) L3MBTL1F2F10PRSS2KMT2A
SCHEMBL6749678 0.79 F2 (0.72) F2PRSS2
SCHEMBL6745851 0.78 F2 (0.56) F2F10PRSS2KMT2A
SCHEMBL6749676 0.78 F2 (0.53) F2F10PRSS2
Hydrochloric Acid SCHEMBL6747397 0.78 F2 (0.70) F2PRSS2
Hydrochloric Acid SCHEMBL6751459 0.77 F2 (0.52) F2F10PRSS2
SCHEMBL5676119 0.76 F2 (0.60) F2F10PRSS2KMT2A
SCHEMBL5673500 0.72 F2 (0.58) ALDH1A1SMN1; SMN2F2F10PRSS2
SCHEMBL6923709 0.72 F2 (0.40) F2F10PRSS2
SCHEMBL5866138 0.71 MEN1 (0.48) ALDH1A1SMN1; SMN2L3MBTL1NPC1F2

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 9 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-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
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 ALDH1A1 3412/4885SMN1; SMN2 2880/4885L3MBTL1 1194/4885
US-20030158252-A1 Aminoguanidines and alkoxyguanidines as protease inhibitors PLG, MMP9, F9 ALDH1A1 2867/4885SMN1; SMN2 2899/4885L3MBTL1 1313/4885
US-20010037039-A1 Aminoguanidines and alkoxyguanidines as protease inhibitors F9, PLG, MMP9 ALDH1A1 3151/4885SMN1; SMN2 3532/4885L3MBTL1 1405/4885

“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.