SCHEMBL6749720

SCHEMBL6749720

Cc1cc(S(C)(=O)=O)cc(S(=O)(=O)Oc2ccccc2OCC(CO)OCc2ccccc2)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.34
PTGER1 P34995 6/20 0.34
PPARD Q03181 1/20 0.34
CASR P41180 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
ALDH1A1 P00352 2/20 0.32
F2 P00734 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
DRD1 P21728 1/20 0.32
PTGS2 P35354 1/20 0.32
KEAP1 Q14145 1/20 0.32
NFE2L2 Q16236 1/20 0.32
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
HPGD P15428 1/20 0.32

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
SCHEMBL6765307 0.85 PTGER1 (0.37) PTGDR2PTGER1SMN1; SMN2ALDH1A1F2
SCHEMBL28744253 0.75 MEN1 (0.41) PTGER1ALDH1A1F2GAAMAPT
SCHEMBL6749715 0.75 F2 (0.56) F2
SCHEMBL24790477 0.70 LMNA (0.44) SMN1; SMN2ALDH1A1MAPTKMT2ALMNA
SCHEMBL11082873 0.68 CA1 (0.40) ALDH1A1KMT2AHPGD
SCHEMBL1823668 0.67 LMNA (0.44) ALDH1A1GAAMAPTKMT2AKEAP1
SCHEMBL27532003 0.67 MEN1 (0.51) SMN1; SMN2ALDH1A1F2GAAMAPT
SCHEMBL1825970 0.66 ALDH1A1 (0.43) SMN1; SMN2ALDH1A1GAAMAPTKMT2A
SCHEMBL6752175 0.65 CYP1A2 (0.41) SMN1; SMN2ALDH1A1F2GAAMAPT
SCHEMBL3072490 0.65 SLC1A3 (0.41) ALDH1A1MAPTKMT2A

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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

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 PTGDR2 602/4885PTGER1 337/4885PPARD 3238/4885
US-20030158252-A1 Aminoguanidines and alkoxyguanidines as protease inhibitors PLG, MMP9, F9 PTGDR2 427/4885PTGER1 225/4885PPARD 3516/4885
US-20010037039-A1 Aminoguanidines and alkoxyguanidines as protease inhibitors F9, PLG, MMP9 PTGDR2 532/4885PTGER1 306/4885PPARD 3496/4885

“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.