SCHEMBL14915765

SCHEMBL14915765

O=C(O)c1cc(Cl)c(Br)c(OC(F)(F)F)c1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 4/20 0.44
TTR P02766 1/20 0.43
KMO O15229 2/20 0.42
EGLN1 Q9GZT9 1/20 0.41
PYGL P06737 1/20 0.41
AURKA O14965 1/20 0.39
TPX2 Q9ULW0 1/20 0.39
RXRA P19793 1/20 0.38
RXRB P28702 1/20 0.38
RXRG P48443 1/20 0.38
TPMT P51580 2/20 0.38
TSHR P16473 1/20 0.38
PLAU P00749 1/20 0.37
ALPL P05186 2/20 0.37
POLB P06746 1/20 0.37
ALOX15 P16050 1/20 0.37
HTT P42858 1/20 0.37

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
SCHEMBL25371678 0.83 TTR (0.46) MRGPRX4TTRKMOEGLN1PYGL
SCHEMBL30694824 0.83 TTR (0.46) MRGPRX4TTRKMOEGLN1PYGL
SCHEMBL14914823 0.83 NOTUM (0.47) MRGPRX4ALPLPOLB
SCHEMBL29422734 0.83 NOTUM (0.47) MRGPRX4ALPLPOLB
SCHEMBL403102 0.80 KMO (0.53) MRGPRX4TTRKMOPYGLRXRA
SCHEMBL10322116 0.78 TPMT (0.58) MRGPRX4TTRPYGLTPMTPLAU
SCHEMBL20742895 0.78 CA12 (0.56) MRGPRX4TTRTPMTTSHRPOLB
SCHEMBL4283750 0.77 TSHR (0.53) MRGPRX4TTRKMOEGLN1PYGL
SCHEMBL10644194 0.76 TTR (0.62) TTRTPMTTSHRPLAUPOLB
SCHEMBL5223563 0.74 TTR (0.43) MRGPRX4TTREGLN1PYGLAURKA

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-20220298163-A1 BTK INHIBITORS WITH IMPROVED DUAL SELECTIVITY BEIGENE, LTD. (KY) 2022-09-22 US disclosed
US-11377449-B2 BTK inhibitors with improved dual selectivity BEIGENE, LTD. (KY) 2022-07-05 US disclosed
US-11377449-B2 BTK inhibitors with improved dual selectivity BEIGENE, LTD. (KY) 2022-07-05 US disclosed
US-20200181150-A1 BTK INHIBITORS WITH IMPROVED DUAL SELECTIVITY BEONE MEDICINES I GMBH (CH) 2020-06-11 US disclosed
US-20200181150-A1 BTK INHIBITORS WITH IMPROVED DUAL SELECTIVITY BEONE MEDICINES I GMBH (CH) 2020-06-11 US disclosed
CN-110997677-A Btk inhibitors with improved dual selectivity 百济神州有限公司 2020-04-10 CN disclosed
WO-2019034009-A1 Btk INHIBITORS WITH IMPROVED DUAL SELECTIVITY BEIGENE, LTD. (KY) 2019-02-21 WO disclosed
EP-2773634-B1 ROD-LIKE HEPATITIS C VIRUS INHIBITORS CONTAINING THE FRAGEMENT {2-[4-(BIPHENYL-4-YL)-1H-IMIDAZO-2-YL]PYRROLIDINE-1-CARBONLYMETHYL}AMINE THERAVANCE BIOPHARMA R&D IP LLC (US) 2018-06-06 EP disclosed
EP-2773634-B1 ROD-LIKE HEPATITIS C VIRUS INHIBITORS CONTAINING THE FRAGEMENT {2-[4-(BIPHENYL-4-YL)-1H-IMIDAZO-2-YL]PYRROLIDINE-1-CARBONLYMETHYL}AMINE THERAVANCE BIOPHARMA R&D IP LLC (US) 2018-06-06 EP disclosed
US-9669027-B2 Hepatitis C virus inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2017-06-06 US disclosed
US-20160038483-A1 HEPATITIS C VIRUS INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2016-02-11 US disclosed
US-20160038483-A1 HEPATITIS C VIRUS INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2016-02-11 US disclosed
US-9212168-B2 Hepatitis C virus inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2015-12-15 US disclosed
US-9212168-B2 Hepatitis C virus inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2015-12-15 US disclosed
US-9212168-B2 Hepatitis C virus inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2015-12-15 US disclosed
EP-2773634-A1 ROD -LIKE HEPATITIS C VIRUS INHIBITORS CONTAINING THE FRAGEMENT {2- [4- (BI PHENYL - 4 - YL) - 1H - IMIDAZO - 2 - YL]PYRROLIDINE - 1 - CARBONLYMETHYL} AMINE Theravance, Inc. (US) 2014-09-10 EP disclosed
WO-2013067267-A1 ROD -LIKE HEPATITIS C VIRUS INHIBITORS CONTAINING THE FRAGEMENT {2- [4- (BI PHENYL - 4 - YL) - 1H - IMIDAZO - 2 - YL] PYRROLIDINE - 1 - CARBONLYMETHYL} AMINE THERAVANCE, INC. (US) 2013-05-10 WO disclosed
US-20130115194-A1 HEPATITIS C VIRUS INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC 2013-05-09 US disclosed
US-20130115194-A1 HEPATITIS C VIRUS INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC 2013-05-09 US disclosed
US-20130115194-A1 HEPATITIS C VIRUS INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC 2013-05-09 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 (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-20130115194-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, SLC10A1, HDGF MRGPRX4 3098/4885TTR 836/4885KMO 3355/4885
US-20220298163-A1 BTK INHIBITORS WITH IMPROVED DUAL SELECTIVITY BTK, SYK, LYN MRGPRX4 1857/4885TTR 3247/4885KMO 1705/4885
US-20200181150-A1 BTK INHIBITORS WITH IMPROVED DUAL SELECTIVITY BTK, SYK, LYN MRGPRX4 1857/4885TTR 3247/4885KMO 1705/4885
US-11377449-B2 BTK inhibitors with improved dual selectivity BTK, SYK, LYN MRGPRX4 1857/4885TTR 3247/4885KMO 1705/4885
US-20160038483-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, SLC10A1, HDGF MRGPRX4 3098/4885TTR 836/4885KMO 3355/4885

“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.