Sugi Predict

Sugi Predict / Compounds / SCHEMBL505520

SCHEMBL505520

SCHEMBL505520

O=C(O)c1ccc(Oc2c(F)cccc2F)cc1

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ LPAR1 Q92633 10/20 0.68
▸ LPAR5 Q9H1C0 10/20 0.68
▸ SRD5A2 P31213 3/20 0.55
▸ TTR P02766 1/20 0.55
▸ HPGD P15428 1/20 0.53
▸ HTT P42858 1/20 0.53
▸ PARP10 Q53GL7 2/20 0.52
▸ PARP15 Q460N3 1/20 0.52
▸ DHODH Q02127 1/20 0.49
▸ MEN1 O00255 1/20 0.48
▸ NPC1 O15118 1/20 0.48
▸ RAB9A P51151 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ SENP8 Q96LD8 1/20 0.48
▸ SENP7 Q9BQF6 1/20 0.48
▸ SENP6 Q9GZR1 1/20 0.48
▸ CA1 P00915 1/20 0.47
▸ CA2 P00918 1/20 0.47

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
SCHEMBL8628620 0.90 LPAR1 (0.58) LPAR1LPAR5SRD5A2TTRHPGD
SCHEMBL16506793 0.89 LPAR1 (0.71) LPAR1LPAR5SRD5A2TTRHPGD
SCHEMBL16506673 0.89 LPAR1 (0.63) LPAR1LPAR5SRD5A2TTRHPGD
SCHEMBL21772066 0.84 MAPT (0.62) LPAR1LPAR5HPGDPARP10RAB9A
SCHEMBL16507182 0.82 LPAR1 (1.00) LPAR1LPAR5
SCHEMBL505361 0.81 HPGD (0.69) LPAR1LPAR5SRD5A2HPGDHTT
SCHEMBL3135333 0.81 LPAR1 (0.56) LPAR1LPAR5SRD5A2TTRPARP10
SCHEMBL3133651 0.80 PARP10 (0.73) LPAR1LPAR5SRD5A2PARP10
SCHEMBL21771623 0.80 PTPN1 (0.53) LPAR1LPAR5PARP10DHODH
SCHEMBL696170 0.80 PKM (0.67) LPAR1LPAR5TTRHTTPARP10

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 27 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-9006454-B2 Dihydroorotate dehydrogenase inhibitors MERCK SERONO S.A. (CH) 2015-04-14 — — US disclosed
EP-2414328-A2 DIHYDROOROTATE DEHYDROGENASE INHIBITORS Merck Serono S.A. (CH) 2012-02-08 — — EP disclosed
US-20120028959-A1 DIHYDROOROTATE DEHYDROGENASE INHIBITORS MERCK SERONO S.A. (CH) 2012-02-02 — — US disclosed
US-20120028959-A1 DIHYDROOROTATE DEHYDROGENASE INHIBITORS MERCK SERONO S.A. (CH) 2012-02-02 — — US disclosed
US-20120028959-A1 DIHYDROOROTATE DEHYDROGENASE INHIBITORS MERCK SERONO S.A. (CH) 2012-02-02 — — US disclosed
US-20110046134-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE BISCHOFF ALEXANDER 2011-02-24 — — US disclosed
US-7842696-B2 Piperazine derivatives as inhibitors of stearoyl-CoA desaturase FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-11-30 — — US disclosed
WO-2010115736-A2 DIHYDROOROTATE DEHYDROGENASE INHIBITORS MERCK SERONO S.A. (CH) 2010-10-14 — — WO disclosed
WO-2010115736-A2 DIHYDROOROTATE DEHYDROGENASE INHIBITORS MERCK SERONO S.A. (CH) 2010-10-14 — — WO disclosed
US-20090221583-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2009-09-03 — — US disclosed
WO-2008157844-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-COA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2008-12-24 — — 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 (6 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 LPAR1 1/4885LPAR5 5/4885SRD5A2 3010/4885
US-20110046134-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE SCD, SCD5, FADS2 LPAR1 525/4885LPAR5 222/4885SRD5A2 594/4885
US-20120028959-A1 DIHYDROOROTATE DEHYDROGENASE INHIBITORS DHODH, FH, DPYD LPAR1 1902/4885LPAR5 2971/4885SRD5A2 111/4885
US-20190010129-A1 Amide derivatives as lysophosphatidic acid receptor antagonists LPAR1, LPAR2, LPAR3 LPAR1 1/4885LPAR5 5/4885SRD5A2 3071/4885
US-20090221583-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE SCD, SCD5, FADS2 LPAR1 525/4885LPAR5 222/4885SRD5A2 594/4885
US-20160207880-A1 AMIDE DERIVATIVES AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS LPAR1, LPAR2, LPAR3 LPAR1 1/4885LPAR5 5/4885SRD5A2 3010/4885

“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.