SCHEMBL6058028

SCHEMBL6058028

Cc1cccc(S(=O)(=O)Oc2ccc(C)cc2O)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.52
MEN1 O00255 1/20 0.52
ESR1 P03372 1/20 0.52
GAA P10253 1/20 0.52
ESR2 Q92731 1/20 0.52
HTR6 P50406 1/20 0.49
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA9 Q16790 1/20 0.45
HSD11B1 P28845 1/20 0.43
HSD17B3 P37058 1/20 0.43
F2 P00734 3/20 0.43
LMNA P02545 1/20 0.40
MAPK1 P28482 1/20 0.40
GFER P55789 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
FBP1 P09467 1/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL6057531 0.83 ACHE (0.52) KMT2AMEN1GAAHTR6CA1
SCHEMBL9054965 0.79 PTGS2 (0.48) KMT2AMEN1ESR1GAAESR2
SCHEMBL14872759 0.78 TDP1 (0.53) KMT2AMEN1HTR6CA1CA2
SCHEMBL14873050 0.78 CA1 (0.56) KMT2AMEN1ESR1GAAESR2
SCHEMBL5202114 0.78 CA1 (0.52) KMT2AMEN1ESR1GAAESR2
SCHEMBL17443396 0.75 KMT2A (0.54) KMT2AMEN1ESR1GAAESR2
SCHEMBL10492010 0.75 KMT2A (0.64) KMT2AMEN1ESR1GAAESR2
SCHEMBL3690641 0.75 KMT2A (0.54) KMT2AMEN1ESR1GAAESR2
SCHEMBL5674278 0.75 F2 (0.52) KMT2AMEN1HTR6F2LMNA
SCHEMBL6113188 0.75 KMT2A (0.53) KMT2AMEN1HTR6F2FBP1

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
EP-1324981-B1 AMINOPYRIDINYL-, AMINOGUANIDINYL- AND ALKOXYGUANIDINYL- SUBSTITUTED PHENYL ACETAMIDES AS PROTEASE INHIBITORS ORTHO MCNEIL PHARM INC (US) 2006-08-23 EP disclosed
US-20050159457-A1 Aminopyridinyl-, aminoguanidinyl- and alkoxyguanidinyl-substituted phenyl acetamides as protease inhibitors PAN WENXI (US) 2005-07-21 US disclosed
US-6900231-B2 Aminopyridyl-substituted phenyl acetamides as protease inhibitors 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2005-05-31 US disclosed
EP-1324981-A2 AMINOPYRIDINYL-, AMINOGUANIDINYL- AND ALKOXYGUANIDINYL- SUBSTITUTED PHENYL ACETAMIDES AS PROTEASE INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2003-07-09 EP disclosed
US-20030073833-A1 Aminopyridyl-substituted phenyl acetamides as protease inhibitors 3-DIMENSIONAL PHARMACEUTICALS, INC. 2003-04-17 US disclosed
US-6521663-B2 For oral administration or embedded or otherwise attached to medical devices for blood collection and/or treatment 3-DIMENSIONAL PHARMACEUTICALS, INC. 2003-02-18 US disclosed
US-20020061872-A1 Aminopyridinyl-, aminoguanidinyl- and Alkoxyguanidinyl-substituted phenyl acetamides as protease inhibitors 3-DIMENSIONAL PHARMACEUTICALS 2002-05-23 US disclosed
WO-2002028825-A2 AMINOPYRIDINYL-, AMINOGUANIDINYL- AND ALKOXYGUANIDINYL- SUBSTITUTED PHENYL ACETAMIDES AS PROTEASE INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2002-04-11 WO 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-20050159457-A1 Aminopyridinyl-, aminoguanidinyl- and alkoxyguanidinyl-substituted phenyl acetamides as protease inhibitors F12, TFPI, PLG KMT2A 1684/4885MEN1 3793/4885ESR1 3618/4885
US-20020061872-A1 Aminopyridinyl-, aminoguanidinyl- and Alkoxyguanidinyl-substituted phenyl acetamides as protease inhibitors TFPI, PLG, PLAT KMT2A 1347/4885MEN1 4554/4885ESR1 4298/4885
US-20030073833-A1 Aminopyridyl-substituted phenyl acetamides as protease inhibitors TFPI, F12, PLAT KMT2A 1131/4885MEN1 4231/4885ESR1 4250/4885

“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.