Sugi Predict

Sugi Predict / Compounds / SCHEMBL647205

SCHEMBL647205

SCHEMBL647205

NC(C(=O)O)C(O)C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SLC7A5 Q01650 1/20 0.42
▸ USP2 O75604 1/20 0.38
▸ SLCO1B1 Q9Y6L6 1/20 0.38
▸ SLC1A3 P43003 2/20 0.36
▸ SLC1A2 P43004 2/20 0.36
▸ SLC1A1 P43005 2/20 0.36
▸ PTGS1 P23219 2/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ NR1I2 O75469 1/20 0.31
▸ ADRA1A P35348 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ BLM P54132 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ CETP P11597 1/20 0.31
▸ TP53 P04637 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
SCHEMBL13413617 1.00 SLC7A5 (0.42) SLC7A5USP2SLCO1B1SLC1A3SLC1A2
SCHEMBL13413616 1.00 SLC7A5 (0.42) SLC7A5USP2SLCO1B1SLC1A3SLC1A2
SCHEMBL13413615 1.00 SLC7A5 (0.42) SLC7A5USP2SLCO1B1SLC1A3SLC1A2
SCHEMBL647206 1.00 SLC7A5 (0.42) SLC7A5USP2SLCO1B1SLC1A3SLC1A2
SCHEMBL17234503 0.76 SLC7A5 (0.43) SLC7A5USP2SLCO1B1SLC1A3SLC1A2
SCHEMBL17234504 0.76 SLC7A5 (0.43) SLC7A5USP2SLCO1B1SLC1A3SLC1A2
SCHEMBL188570 0.76 SLC7A5 (0.43) SLC7A5USP2SLCO1B1SLC1A3SLC1A2
SCHEMBL18528367 0.76 SLC7A5 (0.43) SLC7A5USP2SLCO1B1SLC1A3SLC1A2
SCHEMBL18528440 0.76 SLC7A5 (0.43) SLC7A5USP2SLCO1B1SLC1A3SLC1A2
SCHEMBL188569 0.76 SLC7A5 (0.43) SLC7A5USP2SLCO1B1SLC1A3SLC1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8052961-B2 Highly fluorinated β-amino acids and methods of making and using same UNIVERSITY OF UTAH FOUNDATION (US) 2011-11-08 — — US claimed
US-20090259020-A1 HIGHLY FLUORINATED BETA-AMINO ACIDS AND METHODS OF MAKING AND USING SAME UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 2009-10-15 — — US claimed
WO-2008034093-A2 HIGHLY FLUORINATED β-AMINO ACIDS AND METHODS OF MAKING AND USING SAME UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 2008-03-20 — — WO claimed
US-7053214-B2 β-sheet mimetics and composition and methods relating thereto MYRIAD GENETICS, INC. (US) 2006-05-30 — — US claimed
US-6943157-B2 Reverse-turn mimetics and composition and methods relating thereto MYRIAD GENETICS, INC. (US) 2005-09-13 — — US claimed
CN-112469725-A Penicillin binding protein inhibitors 维纳拓尔斯制药公司 2021-03-09 — — CN disclosed
US-10851119-B2 Boron-containing diacylhydrazines INTREXON CORPORATION (US) 2020-12-01 — — US disclosed
US-20200157122-A1 BORON-CONTAINING DIACYLHYDRAZINES INTREXON CORP (US) 2020-05-21 — — US disclosed
CN-107406373-B Boron-containing diacylhydrazine compounds 英特瑞克斯顿股份有限公司 2020-04-28 — — CN disclosed
EP-3194359-B1 BORON-CONTAINING DIACYLHYDRAZINE COMPOUNDS INTREXON CORP (US) 2020-04-08 — — EP disclosed
US-10570158-B2 Boron-containing diacylhydrazine compounds INTREXON CORPORATION (US) 2020-02-25 — — US disclosed
US-10464951-B2 Boron-containing diacylhydrazines INTREXON CORPORATION (US) 2019-11-05 — — US disclosed
EP-0869967-A2 INHIBITORS OF INTERLEUKIN-1$g(b) CONVERTING ENZYME Vertex Pharmaceuticals Incorporated (US) 1998-10-14 — — EP disclosed
US-5756466-A Inhibitors of interleukin-1β converting enzyme VERTEX PHARMACEUTICALS, INC. (US) 1998-05-26 — — US disclosed
US-5716929-A THERAPY FOR INFLAMMATION, AUTOIMMUNE DISEASES VERTEX PHARMACEUTICALS, INC. (US) 1998-02-10 — — US disclosed
US-5656627-A USEFUL IN TREATING INFLAMMATORY, AUTOIMMUNE AND NEURODEGENERATIVE DISEASES VERTEX PHARMACEUTICALS, INC. (US) 1997-08-12 — — US disclosed
EP-0784628-A1 INHIBITORS OF INTERLEUKIN-1$g(b) CONVERTING ENZYME Vertex Pharmaceuticals Incorporated (US) 1997-07-23 — — EP disclosed
WO-1997022619-A2 INHIBITORS OF INTERLEUKIN-1β CONVERTING ENZYME VERTEX PHARMACEUTICALS INCORPORATED (US) 1997-06-26 — — WO disclosed
WO-1995035308-A1 INHIBITORS OF INTERLEUKIN-1β CONVERTING ENZYME VERTEX PHARMACEUTICALS INCORPORATED (US) 1995-12-28 — — WO disclosed
EP-0117053-A1 Azetidinone derivatives AJINOMOTO CO., INC. (JP) 1984-08-29 — — EP 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-10464951-B2 Boron-containing diacylhydrazines CD22, BRDT, BCR SLC7A5 762/4885USP2 3275/4885SLCO1B1 2386/4885
US-10851119-B2 Boron-containing diacylhydrazines CD22, BRDT, BCR SLC7A5 762/4885USP2 3275/4885SLCO1B1 2386/4885
US-20090259020-A1 HIGHLY FLUORINATED BETA-AMINO ACIDS AND METHODS OF MAKING AND USING SAME DAO, ARRB1, ADRA2B SLC7A5 198/4885USP2 1132/4885SLCO1B1 266/4885
US-20200157122-A1 BORON-CONTAINING DIACYLHYDRAZINES CD22, BRDT, BCR SLC7A5 762/4885USP2 3275/4885SLCO1B1 2386/4885
US-10570158-B2 Boron-containing diacylhydrazine compounds BRDT, CD22, BCR SLC7A5 487/4885USP2 3300/4885SLCO1B1 1822/4885

“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.