Sugi Predict

Sugi Predict / Compounds / SCHEMBL455399

SCHEMBL455399

SCHEMBL455399

O=C(O)/C=C/CC(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 3/20 0.46
▸ GABRR1 P24046 2/20 0.46
▸ GABRR2 P28476 2/20 0.46
▸ BLM P54132 2/20 0.46
▸ GABRR3 A8MPY1 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ APEX1 P27695 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ TP53 P04637 1/20 0.40
▸ EGLN1 Q9GZT9 1/20 0.40
▸ EGLN3 Q9H6Z9 1/20 0.40
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ HCAR2 Q8TDS4 1/20 0.30

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
SCHEMBL14801551 1.00 TSHR (0.46) TSHRGABRR1GABRR2BLMGABRR3
Methacrylic Acid SCHEMBL5345927 0.85 GABRR1 (0.35) TSHRGABRR1GABRR2BLMGABRR3
SCHEMBL3084517 0.84 TSHR (0.46) TSHRGABRR1GABRR2BLMGABRR3
SCHEMBL3084515 0.84 TSHR (0.46) TSHRGABRR1GABRR2BLMGABRR3
Bicarbonate SCHEMBL31651142 0.80 ALDH1A1 (0.33) —
SCHEMBL1538365 0.80 TSHR (0.42) TSHRGABRR1GABRR2BLMGABRR3
SCHEMBL20625018 0.80 TSHR (0.42) TSHRGABRR1GABRR2BLMGABRR3
SCHEMBL712787 0.80 TSHR (0.42) TSHRGABRR1GABRR2BLMGABRR3
SCHEMBL8076447 0.78 TSHR (0.41) TSHRGABRR1GABRR2BLMGABRR3
SCHEMBL12205634 0.77 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114591319-B Tetrahydropyridopyrimidine derivative and application thereof 江苏先声药业有限公司 2024-06-28 — — CN disclosed
US-20220081438-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS INHIBITORS OF FGFR TYROSINE KINASES ARRAY BIOPHARMA INC. 2022-03-17 — — US disclosed
WO-2020131627-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS INHIBITORS OF FGFR TYROSINE KINASES ARRAY BIOPHARMA INC. (US) 2020-06-25 — — WO disclosed
US-10407482-B2 Amino acid substituted molecules ALLOZYNE, INC. (US) 2019-09-10 — — US disclosed
US-10202447-B2 Antibody derivatives MEDIMMUNE LIMITED (GB) 2019-02-12 — — US disclosed
WO-2019006366-A1 PROCESS FOR THE PREPARATION OF ORGANIC ACIDS FROM BETA LACTONES NOVOMER, INC. (US) 2019-01-03 — — WO disclosed
EP-2640745-B1 BIVALENT AND BISPECIFIC ANTI-IL6/ANTI-IL23 ANTIBODIES MEDIMMUNE LTD (GB) 2018-11-07 — — EP disclosed
EP-3116874-B1 HEXAHYDRODIAZEPINOQUINOLINES CARRYING A SUBSTITUTED ALKYL RADICAL ABBVIE DEUTSCHLAND (DE) 2018-02-28 — — EP disclosed
US-20170112851-A1 HEXAHYDRODIAZEPINOQUINOLINES CARRYING A SUBSTITUTED ALKYL RADICAL AbbVie Deutschland GmbH & Co. KG (DE) 2017-04-27 — — US disclosed
EP-3116874-A1 HEXAHYDRODIAZEPINOQUINOLINES CARRYING A SUBSTITUTED ALKYL RADICAL AbbVie Deutschland GmbH & Co. KG (DE) 2017-01-18 — — EP disclosed
US-7632492-B2 Use of host cells in forming modified target molecules, including therapeutic molecules having non-natural amino acids in their sequence; biosynthesis; drug conjugates ALLOZYNE, INC. (US) 2009-12-15 — — US disclosed
WO-2009026393-A2 AMINO ACID SUBSTITUTED MOLECULES ALLOZYNE, INC. (US) 2009-02-26 — — WO disclosed
EP-2018437-A2 NON-NATURAL AMINO ACID SUBSTITUTED POLYPEPTIDES Allozyne, Inc. (US) 2009-01-28 — — EP disclosed
US-20080214439-A1 AMINO ACID SUBSTITUTED MOLECULES ALLOZYNE, INC. (US) 2008-09-04 — — US disclosed
US-20080200641-A1 AMINO ACID SUBSTITUTED MOLECULES ALLOZYNE, INC. (US) 2008-08-21 — — US disclosed
EP-1954668-A2 HOMO- AND HETEROCYCLIC COMPOUNDS SUITABLE AS CETP INHIBITORS Brystol-Myers Squibb Company (US) 2008-08-13 — — EP disclosed
US-20080125347-A1 AMINO ACID SUBSTITUTED MOLECULES ALLOZYNE, INC. (US) 2008-05-29 — — US disclosed
US-20080096819-A1 Amino acid substituted molecules ALLOZYNE, INC. (US) 2008-04-24 — — US disclosed
WO-2007130453-A2 NON-NATURAL AMINO ACID SUBSTITUTED POLYPEPTIDES ALLOZYNE, INC. (US) 2007-11-15 — — WO disclosed
WO-2007062308-A2 HOMO- AND HETEROCYCLIC COMPOUNDS SUITABLE AS CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-05-31 — — 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-10407482-B2 Amino acid substituted molecules BCAT2, DNPEP, PTMS TSHR 3594/4885GABRR1 639/4885GABRR2 476/4885
US-20080096819-A1 Amino acid substituted molecules BCAT2, DNPEP, PTMS TSHR 3594/4885GABRR1 639/4885GABRR2 476/4885
US-20080214439-A1 AMINO ACID SUBSTITUTED MOLECULES BCAT2, DNPEP, PTMS TSHR 3594/4885GABRR1 639/4885GABRR2 476/4885
US-10202447-B2 Antibody derivatives IL23R, IL6, IL2 TSHR 1732/4885GABRR1 1584/4885GABRR2 1157/4885
US-20080200641-A1 AMINO ACID SUBSTITUTED MOLECULES BCAT2, DNPEP, PTMS TSHR 3594/4885GABRR1 639/4885GABRR2 476/4885
US-20170112851-A1 HEXAHYDRODIAZEPINOQUINOLINES CARRYING A SUBSTITUTED ALKYL RADICAL HTR2C, HTR2A, HTR3C TSHR 391/4885GABRR1 388/4885GABRR2 293/4885
US-20220081438-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS INHIBITORS OF FGFR TYROSINE KINASES FGFR1, FGFR4, FGFR3 TSHR 1598/4885GABRR1 1717/4885GABRR2 2323/4885
US-20080125347-A1 AMINO ACID SUBSTITUTED MOLECULES BCAT2, DNPEP, PTMS TSHR 3594/4885GABRR1 639/4885GABRR2 476/4885

“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.