SCHEMBL5035784

SCHEMBL5035784

Cc1ccc([N+](=O)[O-])cc1COS(C)(=O)=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 8/20 0.54
ALDH1A1 P00352 5/20 0.51
TSHR P16473 2/20 0.51
TDP1 Q9NUW8 2/20 0.51
CYP3A4 P08684 4/20 0.48
PDE2A O00408 1/20 0.48
PDE5A O76074 1/20 0.48
ALOX15 P16050 1/20 0.48
NFKB1 P19838 1/20 0.48
APEX1 P27695 1/20 0.48
PDE4A P27815 1/20 0.48
BLM P54132 1/20 0.48
PDE1B Q01064 1/20 0.48
PMP22 Q01453 1/20 0.48
PDE4B Q07343 1/20 0.48
PDE4D Q08499 1/20 0.48
PDE7A Q13946 1/20 0.48
PDE1C Q14123 1/20 0.48
PDE7B Q9NP56 1/20 0.48
L3MBTL1 Q9Y468 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
SCHEMBL1827226 0.89 ALDH1A1 (0.50) CYP19A1ALDH1A1TSHRTDP1CYP3A4
SCHEMBL1530459 0.87 CYP19A1 (0.44) CYP19A1ALDH1A1TSHRTDP1CYP1A2
SCHEMBL6595472 0.85 ALDH1A1 (0.49) CYP19A1ALDH1A1TSHRTDP1CYP3A4
SCHEMBL28476778 0.83 ALDH1A1 (0.58) CYP19A1ALDH1A1TSHRTDP1CYP3A4
SCHEMBL3553831 0.83 CYP19A1 (0.43) CYP19A1ALDH1A1TSHRTDP1CYP3A4
SCHEMBL5913007 0.83 CYP1A2 (0.51) CYP19A1ALDH1A1TSHRTDP1CYP3A4
SCHEMBL7020172 0.83 HSD17B10 (0.50) CYP19A1ALDH1A1TDP1KMT2ALMNA
SCHEMBL792497 0.82 ALDH1A1 (0.56) CYP19A1ALDH1A1TSHRTDP1CYP3A4
SCHEMBL1023938 0.82 MEN1 (0.41) CYP19A1ALDH1A1TSHRTDP1HTT
SCHEMBL5673054 0.82 HSD17B10 (0.49) CYP19A1ALDH1A1TDP1CYP3A4CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8278452-B2 Heterocyclic compounds and compositions as c-kit and PDGFR kinase inhibitors IRM LLC (BM) 2012-10-02 US disclosed
US-8106068-B2 Compositions and methods for modulating c-kit and PDGFR receptors IRM LLC (BM) 2012-01-31 US disclosed
US-20110183997-A1 HETEROCYCLIC COMPOUNDS AND COMPOSITIONS AS C-KIT AND PDGFR KINASE INHIBITORS IRM LLC (BM) 2011-07-28 US disclosed
US-20100081656-A1 COMPOSITIONS AND METHODS FOR MODULATING C-KIT AND PDGFR RECEPTORS IRM LLC (BM) 2010-04-01 US disclosed
US-7678792-B2 Compositions and methods for modulating c-kit and PDGFR receptors IRM LLC (BM) 2010-03-16 US disclosed
US-7449582-B2 Compounds and compositions as protein kinase inhibitors IRM LLC (BM) 2008-11-11 US disclosed
US-7449582-B2 Compounds and compositions as protein kinase inhibitors IRM LLC (BM) 2008-11-11 US disclosed
EP-1673343-A4 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2008-09-10 EP disclosed
US-20080176846-A1 COMPOSITIONS AND METHODS FOR MODULATING C-KIT AND PDGFR RECEPTORS IRM LLC (BM) 2008-07-24 US disclosed
EP-1324981-B1 AMINOPYRIDINYL-, AMINOGUANIDINYL- AND ALKOXYGUANIDINYL- SUBSTITUTED PHENYL ACETAMIDES AS PROTEASE INHIBITORS ORTHO MCNEIL PHARM INC (US) 2006-08-23 EP disclosed
EP-1673343-A2 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2006-06-28 EP disclosed
US-20050187230-A1 Compounds and compositions as protein kinase inhibitors IRM LLC (BM) 2005-08-25 US 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
WO-2005034869-A2 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2005-04-21 WO 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 (7 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 CYP19A1 4009/4885ALDH1A1 2874/4885TSHR 2389/4885
US-20050187230-A1 Compounds and compositions as protein kinase inhibitors FYN, LCK, SRC CYP19A1 3621/4885ALDH1A1 4740/4885TSHR 2103/4885
US-20080176846-A1 COMPOSITIONS AND METHODS FOR MODULATING C-KIT AND PDGFR RECEPTORS FYN, FLT3, SRC CYP19A1 3196/4885ALDH1A1 4274/4885TSHR 1812/4885
US-20020061872-A1 Aminopyridinyl-, aminoguanidinyl- and Alkoxyguanidinyl-substituted phenyl acetamides as protease inhibitors TFPI, PLG, PLAT CYP19A1 4271/4885ALDH1A1 3201/4885TSHR 2559/4885
US-20110183997-A1 HETEROCYCLIC COMPOUNDS AND COMPOSITIONS AS C-KIT AND PDGFR KINASE INHIBITORS KIT, PDGFRA, PDGFRB CYP19A1 1275/4885ALDH1A1 858/4885TSHR 4376/4885
US-20030073833-A1 Aminopyridyl-substituted phenyl acetamides as protease inhibitors TFPI, F12, PLAT CYP19A1 3982/4885ALDH1A1 2765/4885TSHR 2666/4885
US-20100081656-A1 COMPOSITIONS AND METHODS FOR MODULATING C-KIT AND PDGFR RECEPTORS FYN, FLT3, SRC CYP19A1 3196/4885ALDH1A1 4274/4885TSHR 1812/4885

“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.