Sugi Predict

Sugi Predict / Compounds / SCHEMBL169247

SCHEMBL169247

SCHEMBL169247

COc1ccc(C(F)(F)F)cc1C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.55
▸ L3MBTL1 Q9Y468 2/20 0.50
▸ RAB9A P51151 1/20 0.50
▸ CYP19A1 P11511 1/20 0.47
▸ FFAR1 O14842 1/20 0.47
▸ FFAR2 O15552 1/20 0.47
▸ FFAR4 Q5NUL3 1/20 0.47
▸ MAPT P10636 4/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ MAPK1 P28482 2/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ ALOX15 P16050 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ MRGPRX4 Q96LA9 2/20 0.43
▸ HTR2A P28223 2/20 0.42
▸ NQO2 P16083 1/20 0.42
▸ ACHE P22303 1/20 0.41
▸ GAK O14976 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ SLC6A4 P31645 1/20 0.41

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
SCHEMBL14499424 0.87 GAA (0.52) GAA
SCHEMBL2669936 0.85 L3MBTL1 (0.45) GAAL3MBTL1RAB9ACYP19A1FFAR1
SCHEMBL10451549 0.84 MEN1 (0.53) L3MBTL1RAB9AMAPTNPSR1MAPK1
SCHEMBL13483719 0.84 AR (0.48) GAAL3MBTL1RAB9AFFAR1FFAR2
SCHEMBL16604048 0.83 GAA (0.46) GAAL3MBTL1RAB9ACYP19A1FFAR1
SCHEMBL14989084 0.82 GAA (0.44) GAAL3MBTL1RAB9ACYP19A1FFAR1
SCHEMBL30573118 0.82 GAA (0.44) GAAL3MBTL1RAB9ACYP19A1FFAR1
SCHEMBL5024165 0.81 L3MBTL1 (0.71) GAAL3MBTL1RAB9AFFAR1MAPT
SCHEMBL14499450 0.81 RXRA (0.54) GAAMAPTNPSR1KDM4E
SCHEMBL10667796 0.81 KIF11 (0.49) L3MBTL1RAB9AMAPTNPSR1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230136562-A1 SPIROUREA DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2023-05-04 — — US disclosed
US-20230136562-A1 SPIROUREA DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2023-05-04 — — US disclosed
WO-2023001108-A1 PREPARATION OF HISTONE DEACETYLASE INHIBITOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF 成都赜灵生物医药科技有限公司 2023-01-26 — — WO disclosed
WO-2021219594-A1 SPIROUREA DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2021-11-04 — — WO disclosed
WO-2020243415-A2 TEAD INHIBITORS AND USES THEREOF Ikena Oncology, Inc. (US) 2020-12-03 — — WO disclosed
EP-3670514-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS Genentech, Inc. (US) 2020-06-24 — — EP disclosed
WO-2019195159-A1 PRODRUGS OF FUSED-BICYCLIC C5aR ANTAGONISTS CHEMOCENTRYX, INC. (US) 2019-10-10 — — WO disclosed
EP-2906542-B1 SUBSTITUTED SPIROPIPERIDINYL COMPOUNDS USEFUL AS GPR120 AGONISTS MERCK SHARP & DOHME (US) 2019-08-07 — — EP disclosed
EP-3333169-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS Genentech, Inc. (US) 2018-06-13 — — EP disclosed
US-9975895-B2 Substituted pyrimidinium compounds and derivatives for combating animal pests BASF SE (DE) 2018-05-22 — — US disclosed
US-20070135631-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-06-14 — — US disclosed
US-20070135467-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-06-14 — — US disclosed
US-7230133-B2 Malonamides and malonamide derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2007-06-12 — — US disclosed
US-7230133-B2 Malonamides and malonamide derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2007-06-12 — — US disclosed
WO-2007062314-A2 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-05-31 — — WO disclosed
WO-2007062308-A2 HOMO- AND HETEROCYCLIC COMPOUNDS SUITABLE AS CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-05-31 — — WO disclosed
US-20070093529-A1 Diacylhydrazine derivatives MERCK PATENT GMBH (DE) 2007-04-26 — — US disclosed
US-20070093529-A1 Diacylhydrazine derivatives MERCK PATENT GMBH (DE) 2007-04-26 — — US disclosed
US-20070042997-A1 Medicament for treatment of dermal pigmentation INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2007-02-22 — — US disclosed
US-20070042997-A1 Medicament for treatment of dermal pigmentation INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2007-02-22 — — 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-20070135631-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 GAA 1018/4885L3MBTL1 2178/4885RAB9A 3451/4885
US-20070135467-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 GAA 1018/4885L3MBTL1 2178/4885RAB9A 3451/4885
US-20070093529-A1 Diacylhydrazine derivatives BRAF, RAF1, NRAS GAA 2189/4885L3MBTL1 4838/4885RAB9A 2043/4885
US-20070042997-A1 Medicament for treatment of dermal pigmentation TYR, XDH, XPA GAA 500/4885L3MBTL1 3310/4885RAB9A 3815/4885
US-20230136562-A1 SPIROUREA DERIVATIVES KCNA7, PKD2, KCNN3 GAA 3715/4885L3MBTL1 4740/4885RAB9A 1987/4885

“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.