Sugi Predict

Sugi Predict / Compounds / SCHEMBL489916

SCHEMBL489916

SCHEMBL489916

F[C](F)c1ccccc1F

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CES2 O00748 3/20 0.59
▸ CES1 P23141 3/20 0.59
▸ ALDH1A1 P00352 2/20 0.54
▸ ALOX15 P16050 1/20 0.54
▸ GAA P10253 1/20 0.48
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ NPC1 O15118 2/20 0.45
▸ HPGD P15428 2/20 0.45
▸ MAPT P10636 1/20 0.45
▸ PTPN1 P18031 1/20 0.43
▸ ERCC5 P28715 1/20 0.43
▸ FEN1 P39748 1/20 0.43
▸ BCHE P06276 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ RAB9A P51151 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ ALB P02768 1/20 0.39

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
SCHEMBL890358 0.81 ALDH1A1 (0.42) CES2CES1ALDH1A1ALOX15GAA
SCHEMBL2489610 0.79 CES2 (0.62) CES2CES1ALDH1A1ALOX15GAA
SCHEMBL580352 0.78 CES2 (0.62) CES2CES1ALDH1A1ALOX15GAA
SCHEMBL15540783 0.78 CES2 (0.54) CES2CES1ALDH1A1ALOX15GAA
SCHEMBL970209 0.78 CES2 (0.54) CES2CES1ALDH1A1ALOX15GAA
SCHEMBL5180748 0.78 CES2 (0.68) CES2CES1ALDH1A1ALOX15GAA
SCHEMBL9221536 0.77 CES2 (0.59) CES2CES1ALDH1A1ALOX15GAA
SCHEMBL9808159 0.74 CES2 (0.56) CES2CES1ALDH1A1ALOX15GAA
SCHEMBL250099 0.74 CES2 (0.71) CES2CES1ALDH1A1ALOX15GAA
SCHEMBL21815266 0.74 CES2 (0.56) CES2CES1ALDH1A1ALOX15GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230241597-A1 PLATFORM FOR THE RECOVERY OF TRANSITION METAL CATALYSTS TEXAS TECH UNIVERSITY SYSTEM 2023-08-03 — — US claimed
CN-114149396-A Chiral bicyclic gamma-butyrolactone compound and application thereof 山东第一医科大学(山东省医学科学院) 2022-03-08 — — CN claimed
CN-114085201-A Preparation method of chiral bicyclic gamma-butyrolactone compound 山东第一医科大学(山东省医学科学院) 2022-02-25 — — CN claimed
CN-111303090-A Chiral gamma, gamma-disubstituted butenolide compound and preparation method thereof 山东省医学科学院药物研究所（山东省抗衰老研究中心、山东省新技术制药研究所） 2020-06-19 — — CN claimed
WO-2015175941-A1 CYSTEINE ARYLATION DIRECTED BY A GENETICALLY ENCODABLE π-CLAMP MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2015-11-19 — — WO claimed
US-20150166496-A1 DERIVATIVES OF 1-PHENOXY PROPAN-2-OL AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2015-06-18 — — US claimed
EP-2318363-A1 HETEROCYCLIC DERIVATIVES AS IAP BINDING COMPOUNDS Nuevolution A/S (DK) 2011-05-11 — — EP claimed
EP-2195289-A2 PYRROLE COMPOUNDS AS INHIBITORS OF MYCOBACTERIA, SYNTHESIS THEREOF ANS INTERMEDIATES THERETO Universita'Degli Studi di Roma "La Sapienza" (IT) 2010-06-16 — — EP claimed
WO-2009152824-A1 HETEROCYCLIC DERIVATIVES AS IAP BINDING COMPOUNDS NUEVOLUTION A/S (DK) 2009-12-23 — — WO claimed
WO-2009040755-A2 PYRROLE COMPOUNDS AS INHIBITORS OF MYCOBACTERIA, SYNTHESIS THEREOF ANS INTERMEDIATES THERETO Università degli Studi di Roma 'La Sapienza' (IT) 2009-04-02 — — WO claimed
EP-1066022-A1 COMPOSITIONS FOR OXIDATION DYEING KERATIN FIBRES COMPRISING A CATIONIC COUPLER, NOVEL CATIONIC COUPLERS, THEIR USE FOR OXIDATION DYEING AND DYEING METHODS L'OREAL (FR) 2001-01-10 — — EP claimed
EP-1066263-A1 NOVEL CATIONIC 2-ACYLAMINOPHENOLS, THEIR USE AS COUPLER FOR OXIDATION DYEING, COMPOSITIONS CONTAINING THEM, AND DYEING METHODS L'OREAL (FR) 2001-01-10 — — EP claimed
EP-1066264-A2 NOVEL CATIONIC 2-SULPHONYLAMINOPHENOLS, THEIR USE AS COUPLERS FOR OXIDATION DYEING, COMPOSITIONS CONTAINING THEM AND DYEING METHODS L'OREAL (FR) 2001-01-10 — — EP claimed
WO-2000042979-A1 COMPOSITIONS FOR OXIDATION DYEING KERATIN FIBRES COMPRISING A CATIONIC COUPLER, NOVEL CATIONIC COUPLERS, THEIR USE FOR OXIDATION DYEING AND DYEING METHODS L'OREAL (FR) 2000-07-27 — — WO claimed
WO-2000043368-A1 NOVEL CATIONIC 2-ACYLAMINOPHENOLS, THEIR USE AS COUPLER FOR OXIDATION DYEING, COMPOSITIONS CONTAINING THEM, AND DYEING METHODS L'OREAL (FR) 2000-07-27 — — WO claimed
WO-2000042971-A2 NOVEL CATIONIC 2-SULPHONYLAMINOPHENOLS, THEIR USE AS COUPLERS FOR OXIDATION DYEING, COMPOSITIONS CONTAINING THEM AND DYEING METHODS L'OREAL (FR) 2000-07-27 — — WO claimed
WO-2000043356-A1 NOVEL CATIONIC COUPLERS AND THEIR USE FOR OXIDATION DYEING L'OREAL (FR) 2000-07-27 — — WO claimed
US-5340835-A Insecticides ROUSSEL-UCLAF (FR) 1994-08-23 — — US claimed
US-5166341-A Selective antagonist of serotonin 3(5-HT3) receptor DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 1992-11-24 — — US claimed
EP-0295839-A2 Pyrimidine derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1988-12-21 — — EP claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20150166496-A1 DERIVATIVES OF 1-PHENOXY PROPAN-2-OL AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME CACNA1G, CACNA1H, CACNA1I CES2 2716/4885CES1 2373/4885ALDH1A1 2896/4885

“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.