SCHEMBL4644751

SCHEMBL4644751

COCCOCC(=O)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL9 O00512 1/20 0.58
CTNNB1 P35222 1/20 0.58
PTPN7 P35236 1/20 0.53
PTPN12 Q05209 1/20 0.53
PTPN22 Q9Y2R2 1/20 0.53
MAPT P10636 3/20 0.51
KMT2A Q03164 3/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
GAA P10253 1/20 0.50
PTGS2 P35354 1/20 0.48
ALDH1A1 P00352 3/20 0.47
LMNA P02545 2/20 0.47
TP53 P04637 1/20 0.47
CYP3A4 P08684 1/20 0.47
THRB P10828 1/20 0.47
MAPK1 P28482 1/20 0.47
HSD17B10 Q99714 1/20 0.47
MGLL Q99685 2/20 0.46

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
SCHEMBL15708314 0.93 BCL9 (0.62) BCL9CTNNB1PTPN7PTPN12PTPN22
SCHEMBL14749439 0.91 BCL9 (0.60) BCL9CTNNB1PTPN7PTPN12PTPN22
SCHEMBL16884938 0.87 HTR2A (0.48) BCL9CTNNB1PTPN7PTPN12PTPN22
SCHEMBL10311842 0.86 BCL9 (0.67) BCL9CTNNB1PTPN7PTPN12PTPN22
SCHEMBL2577561 0.86 BCL9 (0.66) BCL9CTNNB1PTPN7PTPN12PTPN22
SCHEMBL4641510 0.86 BCL9 (0.63) BCL9CTNNB1PTPN7PTPN12PTPN22
SCHEMBL17554614 0.86 BCL9 (0.55) BCL9CTNNB1PTPN7PTPN12PTPN22
SCHEMBL25632339 0.84 KMT2A (0.59) BCL9CTNNB1PTPN7PTPN12PTPN22
SCHEMBL22364451 0.84 HTR2A (0.46) BCL9CTNNB1PTPN7PTPN12PTPN22
SCHEMBL25614106 0.84 ALDH1A1 (0.54) BCL9CTNNB1PTPN7PTPN12PTPN22

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120277190-A1 PRODRUGS OF COMPOUNDS THAT INHIBIT TRPV1 RECEPTOR ABBVIE INC. 2012-11-01 US disclosed
US-8232309-B2 Prodrugs of compounds that inhibit TRPV1 receptor ABBOTT LABORATORIES (US) 2012-07-31 US disclosed
CN-102516176-A Indazole derivatives that inhibit TRPVL receptor ABBOTT LAB 2012-06-27 CN disclosed
CN-101365684-A Indazole derivatives inhibiting TRPV1 receptor ABBOTT LAB (US) 2009-02-11 CN disclosed
EP-1957464-A1 INDAZOLE DERIVATIVES THAT INHIBIT TRPVl RECEPTOR Abbott Laboratories (US) 2008-08-20 EP disclosed
WO-2007050732-A1 INDAZOLE DERIVATIVES THAT INHIBIT TRPVl RECEPTOR ABBOTT LABORATORIES (US) 2007-05-03 WO disclosed
US-20070099954-A1 Prodrugs of compounds that inhibit TRPV1 receptor ABBVIE INC. 2007-05-03 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 (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-20120277190-A1 PRODRUGS OF COMPOUNDS THAT INHIBIT TRPV1 RECEPTOR TRPV1, TRPV3, TRPA1 BCL9 4617/4885CTNNB1 2157/4885PTPN7 2757/4885
US-20070099954-A1 Prodrugs of compounds that inhibit TRPV1 receptor TRPV1, TRPV3, TRPA1 BCL9 4617/4885CTNNB1 2157/4885PTPN7 2757/4885

“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.