SCHEMBL6749175

SCHEMBL6749175

Cc1cc(OCCCO)cc(OS(=O)(=O)c2ccccc2S(=O)(=O)NCCc2ccccc2C)c1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
F2 P00734 19/20 0.48
PRSS2 P07478 3/20 0.46
CTRC Q99895 3/20 0.45
KDM4E B2RXH2 1/20 0.43
USP2 O75604 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
PKM P14618 1/20 0.43
HPGD P15428 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
SCHEMBL6749804 0.90 F2 (0.50) F2PRSS2CTRCKDM4EUSP2
Hydrochloric Acid SCHEMBL6749999 0.87 F2 (0.50) F2PRSS2CTRC
SCHEMBL6749543 0.86 ALDH1A1 (0.45) F2PRSS2KDM4EUSP2ALDH1A1
SCHEMBL6752151 0.84 F2 (0.45) F2PRSS2CTRCKDM4EUSP2
SCHEMBL5673644 0.80 F2 (0.70) F2PRSS2CTRC
SCHEMBL6923344 0.76 F2 (0.72) F2PRSS2CTRC
SCHEMBL5674291 0.76 F2 (0.74) F2PRSS2CTRC
SCHEMBL5676136 0.75 F2 (0.72) F2PRSS2CTRC
SCHEMBL6748096 0.74 F2 (0.68) F2PRSS2CTRC
SCHEMBL5674392 0.74 F2 (0.66) 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 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-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 (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-20030158252-A1 Aminoguanidines and alkoxyguanidines as protease inhibitors PLG, MMP9, F9 F2 27/4885PRSS2 70/4885CTRC 112/4885
US-20010037039-A1 Aminoguanidines and alkoxyguanidines as protease inhibitors F9, PLG, MMP9 F2 32/4885PRSS2 70/4885CTRC 91/4885

“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.