SCHEMBL132142

SCHEMBL132142

Cc1cscc1C(F)(F)F

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.33
CYP2B6 P20813 2/20 0.33
S1PR1 P21453 2/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C19 P33261 1/20 0.31
MEN1 O00255 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
KMT2A Q03164 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL22733877 0.80 GLA (0.31) GAA
SCHEMBL9885338 0.76 ALDH1A1 (0.35) CYP2A6CYP2B6CYP3A4CYP2C19MAPT
SCHEMBL12228878 0.72 CYP2A6 (0.32) CYP2A6CYP2B6CYP3A4CYP2C19
SCHEMBL3824261 0.72 CYP2A6 (0.32) CYP2A6CYP2B6CYP3A4CYP2C19
SCHEMBL129408 0.69
SCHEMBL14666906 0.69
SCHEMBL20759160 0.69 AR (0.33)
SCHEMBL19346241 0.69 P2RX7 (0.32)
SCHEMBL827113 0.68 NOTUM (0.32)
SCHEMBL132141 0.68

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3672941-B1 PYRIDYLPYRIDONE COMPOUNDS SPRINT BIOSCIENCE AB (SE) 2022-02-09 EP disclosed
WO-2019038387-A1 PYRIDYLPYRIDONE COMPOUNDS SPRINT BIOSCIENCE AB (SE) 2019-02-28 WO disclosed
EP-2952096-B1 Amide compound, an arthropod pest control agent and a method for controlling arthropod pest SUMITOMO CHEMICAL CO (JP) 2018-04-04 EP disclosed
US-9814235-B2 Method for controlling arthropod pest SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-11-14 US disclosed
US-9795550-B2 Gamma-diketones for treatment and prevention of aging skin and wrinkles SAMUMED, LLC (US) 2017-10-24 US disclosed
US-20170260176-A1 GAMMA-DIKETONES AS WNT/BETA -CATENIN SIGNALING PATHWAY ACTIVATORS MED-PATHWAYS II LIMITED (VG) 2017-09-14 US disclosed
US-20160206540-A1 GAMMA-DIKETONES FOR TREATMENT AND PREVENTION OF AGING SKIN AND WRINKLES VICKERS-SPLICE CO-INVESTMENT LLC (KY) 2016-07-21 US disclosed
WO-2016029021-A1 GAMMA-DIKETONES FOR TREATMENT AND PREVENTION OF AGING SKIN AND WRINKLES SAMUMED, LLC (US) 2016-02-25 WO disclosed
EP-2952096-A1 METHOD FOR CONTROLLING ARTHROPOD PEST Sumitomo Chemical Company, Limited (JP) 2015-12-09 EP disclosed
US-20150344466-A1 METHOD FOR CONTROLLING ARTHROPOD PEST SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-12-03 US disclosed
US-20150005348-A1 AMIDE COMPOUND AND USE THEREOF FOR PEST CONTROL SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-01-01 US disclosed
EP-2813492-A1 AMIDE COMPOUND AND USE THEREOF FOR PEST CONTROL Sumitomo Chemical Co., Ltd (JP) 2014-12-17 EP disclosed
WO-2014130869-A1 GAMMA-DIKETONES AS WNT/BETA -CATENIN SIGNALING PATHWAY ACTIVATORS SAMUMED, LLC (US) 2014-08-28 WO disclosed
US-8450319-B2 Pyrrolopyridazinone compound UBE INDUSTRIES, LTD. (JP) 2013-05-28 US disclosed
EP-1982986-B1 PYRROLOPYRIDAZINONE COMPOUND AS PDE4 INHIBITOR UBE INDUSTRIES (JP) 2012-03-07 EP disclosed
US-20090036453-A1 Pyrrolopyridazinone Compound UBE INDUSTRIES, LTD. (JP) 2009-02-05 US disclosed
EP-1982986-A1 PYRROLOPYRIDAZINONE COMPOUND Ube Industries, Ltd. (JP) 2008-10-22 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 (5 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-20150344466-A1 METHOD FOR CONTROLLING ARTHROPOD PEST H1-0, H1-3, H1-2 CYP2A6 961/4885CYP2B6 1338/4885S1PR1 1676/4885
US-20150005348-A1 AMIDE COMPOUND AND USE THEREOF FOR PEST CONTROL RPS8, MT-CO2, ARG1 CYP2A6 812/4885CYP2B6 1108/4885S1PR1 1394/4885
US-20170260176-A1 GAMMA-DIKETONES AS WNT/BETA -CATENIN SIGNALING PATHWAY ACTIVATORS GSK3A, GSK3B, WNT1 CYP2A6 2211/4885CYP2B6 3495/4885S1PR1 856/4885
US-20160206540-A1 GAMMA-DIKETONES FOR TREATMENT AND PREVENTION OF AGING SKIN AND WRINKLES GLA, DGKG, DGKA CYP2A6 3153/4885CYP2B6 4069/4885S1PR1 2633/4885
US-20090036453-A1 Pyrrolopyridazinone Compound CBR3, CBR1, CYC1 CYP2A6 28/4885CYP2B6 12/4885S1PR1 479/4885

“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.