SCHEMBL6747722

SCHEMBL6747722

CCCOc1ccc2c(c1Oc1cc(C)cc(OS(=O)(=O)c3ccccc3S(=O)(=O)NCc3ccncc3)c1)C(=O)NC2=O

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.38
HTT P42858 5/20 0.38
F2 P00734 3/20 0.37
PRSS2 P07478 1/20 0.37
CTRC Q99895 1/20 0.37
ALDH1A1 P00352 5/20 0.36
LMNA P02545 4/20 0.36
RAB9A P51151 3/20 0.35
NPC1 O15118 2/20 0.35
NR2F2 P24468 3/20 0.35
NOD2 Q9HC29 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
RXFP1 Q9HBX9 1/20 0.33

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
SCHEMBL6747715 0.84 F2 (0.42) SMN1; SMN2HTTF2PRSS2CTRC
SCHEMBL6930343 0.81 TSHR (0.51) SMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL7649160 0.79 MEN1 (0.46) SMN1; SMN2F2PRSS2ALDH1A1
SCHEMBL6925571 0.76 ALDH1A1 (0.43) SMN1; SMN2HTTF2PRSS2ALDH1A1
SCHEMBL6747717 0.76 SMN1; SMN2 (0.37) SMN1; SMN2HTTF2PRSS2CTRC
SCHEMBL6926978 0.76 F2 (0.37) F2PRSS2CTRCALDH1A1
SCHEMBL7066207 0.73 F2 (0.49) SMN1; SMN2HTTF2PRSS2CTRC
SCHEMBL6749698 0.73 F2 (0.50) SMN1; SMN2HTTF2PRSS2CTRC
SCHEMBL6747769 0.71 F2 (0.45) SMN1; SMN2HTTF2PRSS2CTRC
SCHEMBL7650082 0.71 F2 (0.47) SMN1; SMN2HTTF2

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 SMN1; SMN2 2880/4885HTT 2344/4885F2 27/4885
US-20010037039-A1 Aminoguanidines and alkoxyguanidines as protease inhibitors F9, PLG, MMP9 SMN1; SMN2 3532/4885HTT 2170/4885F2 32/4885

“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.