SCHEMBL1002973

SCHEMBL1002973

CC(C(=O)O)c1ccc(N)c(N)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 11/20 0.50
AKR1C2 P52895 11/20 0.50
PTGS2 P35354 9/20 0.50
PTGS1 P23219 8/20 0.50
SLC22A6 Q4U2R8 3/20 0.50
CYP1A2 P05177 2/20 0.50
TSHR P16473 2/20 0.50
CDC42 P60953 1/20 0.50
RAC1 P63000 1/20 0.50
MAPT P10636 3/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
LMNA P02545 2/20 0.47
HPGD P15428 2/20 0.47
HIF1A Q16665 2/20 0.47
FABP2 P12104 1/20 0.47
AKR1C4 P17516 1/20 0.47
ADRA2B P18089 1/20 0.47
CHRM3 P20309 1/20 0.47
HTR2C P28335 1/20 0.47

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
SCHEMBL15887337 0.88 ALDH1A1 (0.42) AKR1C3AKR1C2PTGS2PTGS1SLC22A6
SCHEMBL28135188 0.86 GAA (0.44) AKR1C3AKR1C2PTGS2PTGS1SLC22A6
SCHEMBL4129677 0.85 AKR1C3 (0.47) AKR1C3AKR1C2PTGS2PTGS1SLC22A6
SCHEMBL287468 0.85 ALDH1A1 (0.63) AKR1C3AKR1C2PTGS2PTGS1SLC22A6
SCHEMBL15451317 0.84 EPHX1 (0.50) AKR1C3AKR1C2PTGS2PTGS1SLC22A6
SCHEMBL732665 0.83 AKR1C3 (0.55) AKR1C3AKR1C2PTGS2PTGS1SLC22A6
SCHEMBL112764 0.83 AKR1C3 (0.59) AKR1C3AKR1C2PTGS2PTGS1SLC22A6
SCHEMBL11090811 0.83 KMT2A (0.53) AKR1C3AKR1C2PTGS2PTGS1SLC22A6
SCHEMBL10922696 0.83 PTGS1 (0.55) AKR1C3AKR1C2PTGS2PTGS1SLC22A6
SCHEMBL2367665 0.80 ALDH1A1 (0.57) AKR1C3AKR1C2PTGS2PTGS1SLC22A6

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113453724-A Sulfonylmaleimide-based linkers and corresponding conjugates 皮埃尔法布雷医药公司 2021-09-28 CN disclosed
US-8785474-B2 Vanilloid receptor ligands, pharmaceutical compositions containing them, process for making them, and use thereof to treat pain and other conditions GRUENENTHAL GMBH (DE) 2014-07-22 US disclosed
US-8785474-B2 Vanilloid receptor ligands, pharmaceutical compositions containing them, process for making them, and use thereof to treat pain and other conditions GRUENENTHAL GMBH (DE) 2014-07-22 US disclosed
US-8785474-B2 Vanilloid receptor ligands, pharmaceutical compositions containing them, process for making them, and use thereof to treat pain and other conditions GRUENENTHAL GMBH (DE) 2014-07-22 US disclosed
US-8084484-B2 Vanilloid receptor ligands, pharmaceutical compositions containing them, process for making them, and use thereof for treating pain and other conditions GRUENENTHAL GMBH (DE) 2011-12-27 US disclosed
US-8084484-B2 Vanilloid receptor ligands, pharmaceutical compositions containing them, process for making them, and use thereof for treating pain and other conditions GRUENENTHAL GMBH (DE) 2011-12-27 US disclosed
US-8084484-B2 Vanilloid receptor ligands, pharmaceutical compositions containing them, process for making them, and use thereof for treating pain and other conditions GRUENENTHAL GMBH (DE) 2011-12-27 US disclosed
US-20110301156-A1 Vanilloid Receptor Ligands, Pharmaceutical Compositions Containing Them, Process For Making Them, and Use Thereof to Treat Pain and Other Conditions GRUENENTHAL GMBH (DE) 2011-12-08 US disclosed
US-20110301156-A1 Vanilloid Receptor Ligands, Pharmaceutical Compositions Containing Them, Process For Making Them, and Use Thereof to Treat Pain and Other Conditions GRUENENTHAL GMBH (DE) 2011-12-08 US disclosed
US-20110301156-A1 Vanilloid Receptor Ligands, Pharmaceutical Compositions Containing Them, Process For Making Them, and Use Thereof to Treat Pain and Other Conditions GRUENENTHAL GMBH (DE) 2011-12-08 US disclosed
US-20080171783-A1 COMPOSITIONS AND METHODS FOR TREATING HYPERPROLIFERATIVE DISEASE MIGENIX INC. (CA) 2008-07-17 US disclosed
EP-1910279-A2 NON-NUCLEOSIDE ANTI-HEPACIVIRUS AGENTS AND USES THEREOF MIGENIX INC. (CA) 2008-04-16 EP disclosed
US-20070021434-A1 NON-NUCLEOSIDE ANTI-HEPACIVIRUS AGENTS AND USES THEREOF MIGENIX INC. (CA) 2007-01-25 US disclosed
WO-2007002639-A2 NON-NUCLEOSIDE ANTI-HEPACIVIRUS AGENTS AND USES THEREOF MIGENIX INC. (CA) 2007-01-04 WO disclosed
US-20050153876-A1 Compositions of lipopeptide antibiotic derivatives and methods of use thereof MIGENIX INC. (CA) 2005-07-14 US disclosed
US-4316021-A VIRICIDES ELI LILLY AND COMPANY (US) 1982-02-16 US disclosed
US-4243813-A VIRICIDES ELI LILLY AND COMPANY (US) 1981-01-06 US disclosed
US-4196125-A VIRICIDES ELI LILLY AND COMPANY (US) 1980-04-01 US disclosed
US-4118573-A ANTIVIRAL AGENTS ELI LILLY AND COMPANY (US) 1978-10-03 US disclosed
US-4018790-A VIRICIDES ELI LILLY AND COMPANY (US) 1977-04-19 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 (4 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-20070021434-A1 NON-NUCLEOSIDE ANTI-HEPACIVIRUS AGENTS AND USES THEREOF HAVCR2, ADAR, NSUN2 AKR1C3 2280/4885AKR1C2 2020/4885PTGS2 4421/4885
US-20050153876-A1 Compositions of lipopeptide antibiotic derivatives and methods of use thereof NRDC, NOD2, NGLY1 AKR1C3 4524/4885AKR1C2 4616/4885PTGS2 3443/4885
US-20080171783-A1 COMPOSITIONS AND METHODS FOR TREATING HYPERPROLIFERATIVE DISEASE POLQ, POLI, POLH AKR1C3 2536/4885AKR1C2 2212/4885PTGS2 2742/4885
US-20110301156-A1 Vanilloid Receptor Ligands, Pharmaceutical Compositions Containing Them, Process For Making Them, and Use Thereof to Treat Pain and Other Conditions TRPV1, OPRL1, TRPV2 AKR1C3 1393/4885AKR1C2 1513/4885PTGS2 219/4885

“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.