SCHEMBL4693798

SCHEMBL4693798

N#Cc1cccc(C(O)O)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 1/20 0.48
GSK3B P49841 2/20 0.46
GRM4 Q14833 1/20 0.44
TSHR P16473 2/20 0.42
TNF P01375 1/20 0.42
CLK4 Q9HAZ1 1/20 0.41
ALDH1A1 P00352 2/20 0.41
MAPT P10636 2/20 0.41
S1PR1 P21453 1/20 0.40
IDO1 P14902 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ADRA1D P25100 3/20 0.39
ADRA2B P18089 1/20 0.39
ADRA1A P35348 1/20 0.39
GRIN2D O15399 1/20 0.39
GRIN3B O60391 1/20 0.39
GRIN1 Q05586 1/20 0.39
GRIN2A Q12879 1/20 0.39
GRIN2B Q13224 1/20 0.39

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
SCHEMBL11601220 0.87 ENPP2 (0.48) ENPP2GSK3BGRM4TSHRTNF
SCHEMBL29857813 0.83 ENPP2 (0.46) ENPP2GSK3BGRM4TNFS1PR1
SCHEMBL214901 0.83 ENPP2 (0.46) ENPP2GSK3BGRM4TNFS1PR1
SCHEMBL14686260 0.83 GRM4 (0.49) ENPP2GSK3BGRM4TSHRTNF
SCHEMBL7353228 0.83 TSHR (0.57) ENPP2GSK3BGRM4TSHRTNF
SCHEMBL320196 0.83 ENPP2 (0.46) ENPP2GSK3BGRM4TNFS1PR1
SCHEMBL4095529 0.83 ENPP2 (0.46) ENPP2GSK3BGRM4TNFS1PR1
SCHEMBL27948985 0.83 GSK3B (0.51) ENPP2GSK3BGRM4TSHRTNF
SCHEMBL30583447 0.83 ENPP2 (0.46) ENPP2GSK3BGRM4TNFS1PR1
SCHEMBL171656 0.83 ENPP2 (0.46) ENPP2GSK3BGRM4TSHRTNF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230167074-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND OR SALT THEREOF, USE THEREOF, AND INTERMEDIATE THEREOF FUJIFILM CORPORATION (JP) 2023-06-01 US disclosed
US-20230167074-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND OR SALT THEREOF, USE THEREOF, AND INTERMEDIATE THEREOF FUJIFILM CORPORATION (JP) 2023-06-01 US disclosed
EP-3472137-A1 PROCESS FOR PREPARING ATALUREN AND ITS INTERMEDIATES ScinoPharm Taiwan, Ltd. (TW) 2019-04-24 EP disclosed
US-10138215-B2 Process for preparing ataluren and its intermediates SCINOPHARM TAIWAN, LTD. (TW) 2018-11-27 US disclosed
WO-2017222474-A1 PROCESS FOR PREPARING ATALUREN AND ITS INTERMEDIATES SCINOPHARM TAIWAN, LTD. (TW) 2017-12-28 WO disclosed
US-20170362192-A1 PROCESS FOR PREPARING ATALUREN AND ITS INTERMEDIATES SCINOPHARM TAIWAN, LTD. (TW) 2017-12-21 US disclosed
CN-105693971-B Thermoplastic polyurethane elastomer and preparation method thereof 上海益弹新材料有限公司 2017-02-15 CN disclosed
CN-105693971-A Thermoplastic polyurethane elastomer and preparation method thereof 上海益弹新材料有限公司 2016-06-22 CN disclosed
EP-1463501-B1 CIS-IMIDAZOLINES AS MDM2 INHIBITORS HOFFMANN LA ROCHE (CH) 2008-06-11 EP disclosed
EP-1463501-A1 CIS-IMIDAZOLINES AS MDM2 INHIBITORS F. Hoffmann-La Roche AG (CH) 2004-10-06 EP disclosed
US-6617346-B1 Inhibit the interaction of MDM2 protein with a p53-like peptide and have antiproliferative activity HOFFMANN-LA ROCHE INC. 2003-09-09 US disclosed
WO-2003051360-A1 CIS-IMIDAZOLINES AS MDM2 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2003-06-26 WO 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 (3 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-20230167074-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND OR SALT THEREOF, USE THEREOF, AND INTERMEDIATE THEREOF DHRS9, DHODH, CBR1 ENPP2 3174/4885GSK3B 4016/4885GRM4 2252/4885
US-20170362192-A1 PROCESS FOR PREPARING ATALUREN AND ITS INTERMEDIATES AGT, AGTR1, GRHPR ENPP2 1822/4885GSK3B 4624/4885GRM4 2948/4885
US-10138215-B2 Process for preparing ataluren and its intermediates AGT, AGTR1, GRHPR ENPP2 1822/4885GSK3B 4624/4885GRM4 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.