SCHEMBL856086

SCHEMBL856086

O=C(O)c1ccc(SCl)c([N+](=O)[O-])c1

nearest known ligand 0.66

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
APEX1 P27695 1/20 0.66
CASP6 P55212 1/20 0.64
TSHR P16473 2/20 0.58
LMNA P02545 1/20 0.58
ALDH1A1 P00352 1/20 0.57
HCAR3 P49019 8/20 0.54
MAPT P10636 1/20 0.51
POLB P06746 2/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
HPGD P15428 1/20 0.50
BCL2L1 Q07817 1/20 0.48

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
SCHEMBL1025382 0.86 APEX1 (0.69) APEX1CASP6TSHRLMNAALDH1A1
SCHEMBL3866808 0.83 APEX1 (0.66) APEX1CASP6TSHRLMNAALDH1A1
SCHEMBL1025384 0.83 APEX1 (0.66) APEX1CASP6TSHRLMNAALDH1A1
SCHEMBL1996412 0.80 APEX1 (0.70) APEX1CASP6TSHRLMNAALDH1A1
SCHEMBL10650251 0.80 MAPT (0.79) APEX1CASP6LMNAALDH1A1MAPT
SCHEMBL6089975 0.80 APEX1 (0.61) APEX1CASP6TSHRLMNAALDH1A1
SCHEMBL1923978 0.79 BCL2L1 (0.74) APEX1CASP6LMNAALDH1A1MAPT
SCHEMBL2001981 0.78 APEX1 (0.72) APEX1CASP6TSHRLMNAALDH1A1
SCHEMBL29577830 0.78 CASP6 (1.00) APEX1CASP6TSHRLMNAHCAR3
SCHEMBL504055 0.78 CASP6 (1.00) APEX1CASP6TSHRLMNAHCAR3

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
EP-1117689-B1 BONE MORPHOGENETIC PROTEIN ANTAGONISTS BASED ON THE MATURE PROTEIN BIOPH BIOTECH ENTW PHARM GMBH (DE) 2012-03-28 EP disclosed
EP-1700114-A4 METHOD FOR ENRICHMENT/SEPARATION OF PROTEIN OR PEPTIDE SHIMADZU CORP (JP) 2007-07-11 EP disclosed
US-20070112181-A1 Method for enrichment/seperation of protein or peptide SHIMADZU CORPORATION (JP) 2007-05-17 US disclosed
US-7132397-B1 Bone morphogenetic protein antagonist based on the mature protein BIOPHARM GESELLSCHAFT ZUR BIOTECHNOLOGISCHEN ENTWICKLUNG VON PHARMAKA MBH (DE) 2006-11-07 US disclosed
EP-1700114-A2 METHOD FOR ENRICHMENT/SEPARATION OF PROTEIN OR PEPTIDE SHIMADZU CORPORATION (JP) 2006-09-13 EP disclosed
WO-2005062725-A2 METHOD FOR ENRICHMENT/SEPARATION OF PROTEIN OR PEPTIDE SHIMADZU CORPORATION (JP) 2005-07-14 WO disclosed
EP-1117689-A1 BONE MORPHOGENETIC PROTEIN ANTAGONISTS BASED ON THE MATURE PROTEIN BIOPHARM GESELLSCHAFT ZUR BIOTECHNOLOGISCHEN ENTWICKLUNG VON PHARMAKA mbH (DE) 2001-07-25 EP disclosed
WO-2000021998-A1 BONE MORPHOGENETIC PROTEIN ANTAGONIST BASED ON THE MATURE PROTEIN BIOPHARM GESELLSCHAFT ZUR BIOTECHNOLOGISCHEN ENTWICKLUNG VON PHARMAKA MBH (DE) 2000-04-20 WO disclosed
US-5597821-A ANTITUMOR AGENTS MERCK SHARP & DOHME CORP. 1997-01-28 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 (1 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-20070112181-A1 Method for enrichment/seperation of protein or peptide PTMS, MAX, PREP APEX1 547/4885CASP6 2767/4885TSHR 2948/4885

“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.