SCHEMBL1444784

SCHEMBL1444784

O=C(O)c1ccc(OCc2ccccc2F)cc1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 0.75
PARP15 Q460N3 1/20 0.75
PARP14 Q460N5 1/20 0.75
PARP10 Q53GL7 1/20 0.75
LPAR1 Q92633 3/20 0.74
LPAR5 Q9H1C0 3/20 0.74
NR4A2 P43354 4/20 0.68
NR4A1 P22736 1/20 0.63
NR4A3 Q92570 1/20 0.63
PTPRC P08575 1/20 0.59
PTPN1 P18031 1/20 0.59
NPC1 O15118 1/20 0.58
CASP3 P42574 1/20 0.58
RAB9A P51151 1/20 0.58
SENP8 Q96LD8 1/20 0.58
SENP7 Q9BQF6 1/20 0.58
SENP6 Q9GZR1 1/20 0.58
SRD5A2 P31213 1/20 0.58
ALKBH1 Q13686 1/20 0.57
PKM P14618 1/20 0.57

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
SCHEMBL16507246 0.86 LPAR1 (1.00) MAOBPARP15PARP14PARP10LPAR1
SCHEMBL20883219 0.86 PARP10 (1.00) MAOBPARP15PARP14PARP10LPAR1
SCHEMBL2087950 0.86 MAOB (1.00) MAOBPARP15PARP14PARP10LPAR1
SCHEMBL1654034 0.86 GCK (0.66) MAOBPARP15PARP14PARP10LPAR1
SCHEMBL2087299 0.84 MAOB (0.66) MAOBPARP15PARP14PARP10LPAR1
SCHEMBL1444069 0.83 MAOB (0.74) MAOBPARP15PARP14PARP10LPAR1
SCHEMBL17644774 0.82 MAOB (0.68) MAOBPARP15PARP14PARP10LPAR1
SCHEMBL2087038 0.82 NR4A2 (0.61) MAOBPARP15PARP14PARP10LPAR1
SCHEMBL1443412 0.82 MAOB (0.68) MAOBPARP15PARP14PARP10LPAR1
SCHEMBL711300 0.82 GCK (0.59) MAOBPARP15PARP14PARP10LPAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190010129-A1 Amide derivatives as lysophosphatidic acid receptor antagonists TAKEDA PHARMACEUTICAL COMPANY LIMITED 2019-01-10 US disclosed
US-10100018-B2 Amide derivatives as lysophosphatidic acid receptor antagonists TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-10-16 US disclosed
US-9464060-B2 Compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-10-11 US disclosed
US-9464060-B2 Compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-10-11 US disclosed
US-9464060-B2 Compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-10-11 US disclosed
US-20160207880-A1 AMIDE DERIVATIVES AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-07-21 US disclosed
US-20160207880-A1 AMIDE DERIVATIVES AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-07-21 US disclosed
US-20160207880-A1 AMIDE DERIVATIVES AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-07-21 US disclosed
EP-3036215-A1 AMIDE DERIVATIVES AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS Takeda Pharmaceutical Company Limited (JP) 2016-06-29 EP disclosed
US-20150057298-A1 NOVEL COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED 2015-02-26 US disclosed
EP-2477964-B1 Process for preparing alpha-carboxamide derivatives CONVERGENCE PHARMACEUTICALS (GB) 2015-02-11 EP disclosed
US-8759542-B2 Process for preparing alpha-carboxamide derivatives Convergence Pharmaceuticals Limited (GB) 2014-06-24 US disclosed
US-8759542-B2 Process for preparing alpha-carboxamide derivatives Convergence Pharmaceuticals Limited (GB) 2014-06-24 US disclosed
US-8759542-B2 Process for preparing alpha-carboxamide derivatives Convergence Pharmaceuticals Limited (GB) 2014-06-24 US disclosed
US-20120226053-A1 PROCESS FOR PREPARING ALPHA-CARBOXAMIDE DERIVATIVES Convergence Pharmaceuticals Limited 2012-09-06 US disclosed
US-20120226053-A1 PROCESS FOR PREPARING ALPHA-CARBOXAMIDE DERIVATIVES Convergence Pharmaceuticals Limited 2012-09-06 US disclosed
US-20120226053-A1 PROCESS FOR PREPARING ALPHA-CARBOXAMIDE DERIVATIVES Convergence Pharmaceuticals Limited 2012-09-06 US disclosed
EP-2477964-A1 PROCESS FOR PREPARING ALPHA-CARBOXAMIDE DERIVATIVES Convergence Pharmaceuticals Limited (GB) 2012-07-25 EP disclosed
WO-2011029762-A1 PROCESS FOR PREPARING ALPHA-CARBOXAMIDE DERIVATIVES Convergence Pharmaceuticals Limited (GB) 2011-03-17 WO disclosed
WO-2011029762-A1 PROCESS FOR PREPARING ALPHA-CARBOXAMIDE DERIVATIVES Convergence Pharmaceuticals Limited (GB) 2011-03-17 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 (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-10100018-B2 Amide derivatives as lysophosphatidic acid receptor antagonists LPAR1, LPAR2, LPAR3 MAOB 1739/4885PARP15 1074/4885PARP14 1285/4885
US-20120226053-A1 PROCESS FOR PREPARING ALPHA-CARBOXAMIDE DERIVATIVES CBR1, CBR3, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 MAOB 2874/4885PARP15 1714/4885PARP14 2271/4885
US-20190010129-A1 Amide derivatives as lysophosphatidic acid receptor antagonists LPAR1, LPAR2, LPAR3 MAOB 1490/4885PARP15 1028/4885PARP14 1210/4885
US-20160207880-A1 AMIDE DERIVATIVES AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS LPAR1, LPAR2, LPAR3 MAOB 1739/4885PARP15 1074/4885PARP14 1285/4885
US-20150057298-A1 NOVEL COMPOUNDS F12, C1R, CHRM1 MAOB 270/4885PARP15 1172/4885PARP14 1122/4885

“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.