SCHEMBL953432

SCHEMBL953432

NC(=O)C(N)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.50
CES1 P23141 2/20 0.50
KIF11 P52732 3/20 0.44
GSK3B P49841 2/20 0.44
ACP3 P15309 1/20 0.43
GRM8 O00222 1/20 0.43
GRM4 Q14833 1/20 0.43
EPHX2 P34913 1/20 0.42
HTR3E A5X5Y0 1/20 0.42
HTR3B O95264 1/20 0.42
PLAU P00749 1/20 0.42
HTR3A P46098 1/20 0.42
HTR3D Q70Z44 1/20 0.42
HTR3C Q8WXA8 1/20 0.42
KMT2A Q03164 1/20 0.42
SRD5A2 P31213 1/20 0.41
CNR2 P34972 1/20 0.41
CYP1A2 P05177 1/20 0.40
PTPN1 P18031 1/20 0.40

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
SCHEMBL23182220 0.84 CES2 (0.50) CES2CES1GSK3BACP3GRM8
SCHEMBL11902072 0.84 GRM8 (0.50) CES2CES1KIF11ACP3GRM8
SCHEMBL18125936 0.84 GRM8 (0.50) CES2CES1KIF11ACP3GRM8
SCHEMBL5225725 0.84 GRM8 (0.50) CES2CES1KIF11ACP3GRM8
SCHEMBL6214993 0.83 RORC (0.50)
SCHEMBL1061611 0.82 CES2 (0.52) CES2CES1KIF11GSK3BACP3
SCHEMBL7470401 0.80 CES2 (0.65) CES2CES1KIF11GSK3BACP3
SCHEMBL28200284 0.80 CES2 (0.50) CES2CES1KIF11GSK3BACP3
SCHEMBL7289441 0.78 CES2 (0.49) CES2CES1KIF11GSK3BACP3
SCHEMBL2055563 0.78 EPHX1 (0.53) CES2CES1KIF11GSK3BACP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11999731-B2 EGFR dimer disruptors and use of the same THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2024-06-04 US disclosed
US-20220340572-A1 EGFR DIMER DISRUPTORS AND USE OF THE SAME THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2022-10-27 US disclosed
US-11358965-B2 EGFR dimer disruptors and use of the same THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2022-06-14 US disclosed
EP-3755323-A1 EGFR DIMER DISRUPTORS AND USE OF THE SAME The Regents Of The University Of Michigan (US) 2020-12-30 EP disclosed
US-20200377503-A1 EGFR DIMER DISRUPTORS AND USE OF THE SAME THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2020-12-03 US disclosed
CN-111886009-A EGFR dimer disruptors and uses thereof 密歇根大学董事会 2020-11-03 CN disclosed
WO-2019165358-A1 EGFR DIMER DISRUPTORS AND USE OF THE SAME THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2019-08-29 WO disclosed
US-20110059940-A1 2-Aryl Glycinamide Derivatives BRISTOL- MYERS SQUIBB COMPANY 2011-03-10 US disclosed
EP-2278878-A1 2-ARYL GLYCINAMIDE DERIVATIVES Bristol-Myers Squibb Company (US) 2011-02-02 EP disclosed
US-20110009440-A1 GLYT1 TRANSPORTER INHIBITORS AND USES THEREOF IN TREATMENT OF NEUROLOGICAL AND NEUROPSYCHIATRIC DISORDERS MARSHALL HOWARD ROBERT 2011-01-13 US disclosed
US-7592488-B2 Method for preparing optically active amines POSTECH ACADEMY-INDUSTRY FOUNDATION (KR) 2009-09-22 US disclosed
US-20090062360-A1 Compounds Which Inhibit the Glycine Transporter and Uses Thereof GLAXO GROUP LIMITED (GB) 2009-03-05 US disclosed
US-20090062360-A1 Compounds Which Inhibit the Glycine Transporter and Uses Thereof GLAXO GROUP LIMITED (GB) 2009-03-05 US disclosed
US-20090035830-A1 Method for Preparing Optically Active Amines POSTECH ACADEMY-INDUSTRY FOUNDATION (KR) 2009-02-05 US disclosed
US-20090035830-A1 Method for Preparing Optically Active Amines POSTECH ACADEMY-INDUSTRY FOUNDATION (KR) 2009-02-05 US disclosed
EP-1994010-A1 COMPOUNDS WHICH INHIBIT THE GLYCINE TRANSPORTER AND USES THEREOF GLAXO GROUP LIMITED (GB) 2008-11-26 EP disclosed
WO-2008092879-A1 GLYT1 TRANSPORTER INHIBITORS AND USES THEREOF IN TREATMENT OF NEUROLOGICAL AND NEUROPSYCHIATRIC DISORDERS GLAXO GROUP LIMITED (GB) 2008-08-07 WO disclosed
WO-2007116061-A1 1-(2-ARYL-2-OXOETHYL)-3-PHENYL-1, 4-DIAZASPIRO [4.5]DEC-3-EN-2-ONE DERIVATIVES AND THEIR USE AS GLYCINE TRANSPORTER INHIBITORS GLAXO GROUP LIMITED (GB) 2007-10-18 WO disclosed
WO-2007104775-A1 COMPOUNDS WHICH INHIBIT THE GLYCINE TRANSPORTER AND USES THEREOF GLAXO GROUP LIMITED (GB) 2007-09-20 WO disclosed
WO-2007104775-A1 COMPOUNDS WHICH INHIBIT THE GLYCINE TRANSPORTER AND USES THEREOF GLAXO GROUP LIMITED (GB) 2007-09-20 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 (8 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-11358965-B2 EGFR dimer disruptors and use of the same EGFR, ERBB2, ERBB4 CES2 4007/4885CES1 3981/4885KIF11 2884/4885
US-20090062360-A1 Compounds Which Inhibit the Glycine Transporter and Uses Thereof SLC18A2, SLC1A2, SLC1A1 CES2 1379/4885CES1 1192/4885KIF11 3266/4885
US-20220340572-A1 EGFR DIMER DISRUPTORS AND USE OF THE SAME EGFR, ERBB2, ERBB4 CES2 4007/4885CES1 3981/4885KIF11 2884/4885
US-20110059940-A1 2-Aryl Glycinamide Derivatives IAPP, APP, BACE1 CES2 2407/4885CES1 1809/4885KIF11 4485/4885
US-20110009440-A1 GLYT1 TRANSPORTER INHIBITORS AND USES THEREOF IN TREATMENT OF NEUROLOGICAL AND NEUROPSYCHIATRIC DISORDERS SLC18A2, SLC1A2, SLC1A1 CES2 443/4885CES1 392/4885KIF11 2136/4885
US-20090035830-A1 Method for Preparing Optically Active Amines CEL, NAAA, LIPA CES2 17/4885CES1 28/4885KIF11 2325/4885
US-11999731-B2 EGFR dimer disruptors and use of the same EGFR, ERBB2, ERBB4 CES2 4007/4885CES1 3981/4885KIF11 2884/4885
US-20200377503-A1 EGFR DIMER DISRUPTORS AND USE OF THE SAME EGFR, ERBB2, ERBB4 CES2 4007/4885CES1 3981/4885KIF11 2884/4885

“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.