SCHEMBL2235343

SCHEMBL2235343

CC(C)C(I)OC(=O)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.52
GAA P10253 1/20 0.51
BCL9 O00512 1/20 0.49
CTNNB1 P35222 1/20 0.49
MGLL Q99685 2/20 0.47
ALDH1A1 P00352 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
KMT2A Q03164 3/20 0.44
PKM P14618 1/20 0.44
MAPT P10636 4/20 0.43
MEN1 O00255 2/20 0.43
NPC1 O15118 1/20 0.43
HTT P42858 1/20 0.43
RAB9A P51151 1/20 0.43
KDM4E B2RXH2 1/20 0.43
LMNA P02545 2/20 0.41
TP53 P04637 1/20 0.41
CYP3A4 P08684 1/20 0.41
THRB P10828 1/20 0.41
MAPK1 P28482 1/20 0.41

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
SCHEMBL2233306 0.88 HTR2A (0.54) HTR2AGAABCL9CTNNB1MGLL
SCHEMBL21097121 0.85 HTR2A (0.54) HTR2AGAABCL9CTNNB1MGLL
SCHEMBL21098059 0.85 HTR2A (0.54) HTR2AGAABCL9CTNNB1MGLL
SCHEMBL23922815 0.85 HTR2A (0.54) HTR2AGAABCL9CTNNB1MGLL
SCHEMBL1059539 0.84 HTR2A (0.60) HTR2AGAABCL9CTNNB1MGLL
SCHEMBL2235376 0.82 HTR2A (0.52) HTR2AGAABCL9CTNNB1MGLL
SCHEMBL27126 0.82 HTR2A (0.54) HTR2AGAABCL9CTNNB1MGLL
SCHEMBL30871778 0.81 HTR2A (0.53) HTR2AGAABCL9CTNNB1MGLL
SCHEMBL15459741 0.81 HTR2A (0.53) HTR2AGAABCL9CTNNB1MGLL
SCHEMBL7989561 0.81 HTR2A (0.53) HTR2AGAABCL9CTNNB1MGLL

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-9611284-B2 Prostaglandin-bisphosphonate conjugate compounds, methods of making same, and uses thereof SIMON FRASER UNIVERSITY (CA) 2017-04-04 US disclosed
US-9611284-B2 Prostaglandin-bisphosphonate conjugate compounds, methods of making same, and uses thereof SIMON FRASER UNIVERSITY (CA) 2017-04-04 US disclosed
US-20130157984-A1 PROSTAGLANDIN-BISPHOSPHONATE CONJUGATE COMPOUNDS, METHODS OF MAKING SAME, AND USES THEREOF SIMON FRASER UNIVERSITY (CA) 2013-06-20 US disclosed
US-20130157984-A1 PROSTAGLANDIN-BISPHOSPHONATE CONJUGATE COMPOUNDS, METHODS OF MAKING SAME, AND USES THEREOF SIMON FRASER UNIVERSITY (CA) 2013-06-20 US disclosed
US-20110213143-A1 COMPOUND HAVING TAFIA INHIBITORY ACTIVITY TAISHO PHARMACEUTICAL CO., LTD. (JP) 2011-09-01 US disclosed
EP-2361910-A1 COMPOUND HAVING TAFIA INHIBITORY ACTIVITY Taisho Pharmaceutical Co., Ltd. (JP) 2011-08-31 EP 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 (2 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-20110213143-A1 COMPOUND HAVING TAFIA INHIBITORY ACTIVITY TAF1, TAF5, TAF11 HTR2A 4341/4885GAA 1535/4885BCL9 2611/4885
US-20130157984-A1 PROSTAGLANDIN-BISPHOSPHONATE CONJUGATE COMPOUNDS, METHODS OF MAKING SAME, AND USES THEREOF PTGES, PTGFR, PTGIS HTR2A 3244/4885GAA 1874/4885BCL9 2527/4885

“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.