SCHEMBL6746039

SCHEMBL6746039

COc1ccccc1N1CCN(S(=O)(=O)c2ccccc2S(=O)(=O)Oc2cc(C)cc(OCCCONC(=N)N)c2)CC1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
F2 P00734 15/20 0.52
CTRC Q99895 3/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
KMT2A Q03164 1/20 0.46
PRSS2 P07478 4/20 0.45
F10 P00742 2/20 0.45
ALDH1A1 P00352 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
LMNA P02545 2/20 0.45
GAA P10253 1/20 0.45
USP2 O75604 1/20 0.43
GLA P06280 1/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
HSD17B10 Q99714 1/20 0.43

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
Hydrochloric Acid SCHEMBL6745969 0.99 F2 (0.51) F2CTRCNPC1RAB9AKMT2A
SCHEMBL6747827 0.88 F2 (0.51) F2CTRCPRSS2F10
Hydrochloric Acid SCHEMBL6749351 0.87 F2 (0.51) F2CTRCPRSS2F10
SCHEMBL6745957 0.87 F2 (0.54) F2CTRCPRSS2F10
SCHEMBL6745983 0.87 F2 (0.54) F2CTRCPRSS2F10
SCHEMBL6746040 0.87 F2 (0.71) F2
SCHEMBL6749897 0.87 F2 (0.50) F2CTRCRAB9APRSS2F10
Hydrochloric Acid SCHEMBL6749884 0.86 F2 (0.53) F2CTRCPRSS2F10
Hydrochloric Acid SCHEMBL6746005 0.86 F2 (0.53) F2CTRCPRSS2F10
Hydrochloric Acid SCHEMBL6745972 0.86 F2 (0.70) 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 4 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 claimed
US-20040002539-A1 Process for preparing aminoguanidines and alkoxyguanidines as protease inhibitors 3-DIMENSIONAL PHARMACEUTICALS, INC. 2004-01-01 US claimed
US-6638931-B1 Aminoguanidines and alkoxyguanidines as protease inhibitors 3-DIMENSIONAL PHARMACEUTICALS, INC. 2003-10-28 US claimed
EP-0944590-B1 AMINOGUANIDINES AND ALKOXYGUANIDINES AS PROTEASE INHIBITORS DIMENSIONAL PHARM INC (US) 2002-03-20 EP claimed

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-20040002539-A1 Process for preparing aminoguanidines and alkoxyguanidines as protease inhibitors F9, PLG, MMP9 F2 27/4885CTRC 69/4885NPC1 2843/4885

“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.