SCHEMBL6749452

SCHEMBL6749452

Cc1ccc(OS(=O)(=O)c2cccc(S(=O)(=O)C3CNCCO3)c2)c(OCCCON2C(=O)c3ccccc3C2=O)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.34
HTR6 P50406 2/20 0.33
HPGD P15428 3/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
VDR P11473 1/20 0.32
ALDH1A1 P00352 6/20 0.32
MAPT P10636 3/20 0.32
KMT2A Q03164 3/20 0.32
MEN1 O00255 2/20 0.32
NPSR1 Q6W5P4 1/20 0.32
KDM4E B2RXH2 4/20 0.32
F2 P00734 2/20 0.32
XBP1 P17861 1/20 0.32
HTT P42858 1/20 0.32
LMNA P02545 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
POLB P06746 1/20 0.31
AGTR1 P30556 1/20 0.30

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
SCHEMBL6745836 0.86 HTR6 (0.37) HTR6F2LMNASMN1; SMN2REN
SCHEMBL6745952 0.68 SMN1; SMN2 (0.46) MAPK1VDRALDH1A1MAPTKMT2A
SCHEMBL28433779 0.65 HTR6 (0.39) HTR6KMT2AMEN1GAACYP2D6
SCHEMBL4636714 0.63 HTR6 (0.37) HTR6
SCHEMBL7674336 0.63 HTR6 (0.47) HTR6CYP3A4
SCHEMBL31619113 0.63 GAA (0.47) ALDH1A1CYP1A2GAACYP2C9CYP2C19
SCHEMBL6422590 0.63 SLC6A2 (0.38) HTR6ALDH1A1MAPTCYP2D6
SCHEMBL28153720 0.61 LMNA (0.44) TSHRALDH1A1F2LMNASMN1; SMN2
SCHEMBL7671592 0.61 DRD2 (0.52) HTR6
SCHEMBL6928372 0.60 F2 (0.45) 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 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 RECQL 1754/4885HTR6 698/4885HPGD 1025/4885
US-20030158252-A1 Aminoguanidines and alkoxyguanidines as protease inhibitors PLG, MMP9, F9 RECQL 1870/4885HTR6 645/4885HPGD 886/4885
US-20010037039-A1 Aminoguanidines and alkoxyguanidines as protease inhibitors F9, PLG, MMP9 RECQL 1859/4885HTR6 661/4885HPGD 928/4885

“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.