Sugi Predict

Sugi Predict / Compounds / SCHEMBL3277336

SCHEMBL3277336

SCHEMBL3277336

FC(F)(F)C(F)(F)Cc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 1/20 0.46
▸ TAAR1 Q96RJ0 1/20 0.46
▸ CYP1A2 P05177 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ LMNA P02545 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ CES1 P23141 2/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ HIF1A Q16665 1/20 0.41
▸ CALM1 P0DP23 1/20 0.41
▸ FDPS P14324 1/20 0.40
▸ EPHX2 P34913 1/20 0.39
▸ TSHR P16473 3/20 0.38
▸ TRPA1 O75762 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ IDO1 P14902 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ LOXL2 Q9Y4K0 1/20 0.38
▸ NR1H2 P55055 1/20 0.37

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
SCHEMBL29299420 0.85 SLC6A2 (0.43) SLC6A2TAAR1CYP1A2CYP2C9CYP2C19
SCHEMBL18588695 0.85 SLC6A2 (0.43) SLC6A2TAAR1CYP1A2CYP2C9CYP2C19
SCHEMBL17943302 0.80 SLC6A2 (0.54) SLC6A2TAAR1CYP1A2CYP2C9CYP2C19
SCHEMBL3915985 0.80 SLC6A2 (0.39) SLC6A2TAAR1CYP1A2CYP2C9CYP2C19
SCHEMBL3248504 0.79 SLC6A2 (0.46) SLC6A2TAAR1CYP1A2CYP2C9CYP2C19
SCHEMBL11859244 0.79 SLC6A2 (0.46) SLC6A2TAAR1CYP1A2CYP2C9CYP2C19
SCHEMBL11021341 0.79 SLC6A2 (0.46) SLC6A2TAAR1CYP1A2CYP2C9CYP2C19
SCHEMBL17940749 0.78 CYP1A2 (0.50) SLC6A2TAAR1CYP1A2CYP2C9CYP2C19
SCHEMBL185769 0.78 SLC6A2 (0.50) SLC6A2TAAR1CYP1A2CYP2C9CYP2C19
SCHEMBL19224281 0.78 SLC6A2 (0.50) SLC6A2TAAR1CYP1A2CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1670446-A2 METHOD OF INHIBITING REMNANT LIPOPROTEIN PRODUCTION JAPAN TOBACCO INC. (JP) 2006-06-21 — — EP claimed
WO-2005030185-A2 METHOD OF INHIBITING REMNANT LIPOPROTEIN PRODUCTION JAPAN TOBACCO INC. (JP) 2005-04-07 — — WO claimed
CN-118119583-A Method for producing fluorine-containing aromatic compound 大金工业株式会社 2024-05-31 — — CN disclosed
CN-114174362-A Fluorine-containing copolymer 大金工业株式会社 2022-03-11 — — CN disclosed
CN-113956464-A Compound having isocyanuric skeleton and composition comprising same 大金工业株式会社 2022-01-21 — — CN disclosed
CN-109715702-B Novel compound having isocyanuric skeleton and composition comprising same 大金工业株式会社 2021-11-23 — — CN disclosed
WO-2015095788-A1 2-ACYLAMIDOMETHYL AND SULFONYLAMIDOMETHYL BENZOXAZINE CARBAMATES FOR INHIBITION OF RORgamma ACTIVITY AND THE TREATMENT OF DISEASE MERCK SHARP & DOHME CORP. (US) 2015-06-25 — — WO disclosed
WO-2015018855-A1 PENTAFLUOROETHYLATING COMPOSITIONS FUNDACIÓ INSTITUT CATALÀ D'INVESTIGACIÓ QUÍMICA (ES) 2015-02-12 — — WO disclosed
EP-2835374-A1 Pentafluoroethylating compositions Fundació Institut Català d'Investigació Química (ES) 2015-02-11 — — EP disclosed
US-7700658-B2 (R)-chiral halogenated substituted fused heterocyclic amino compounds useful for inhibiting cholesterol ester transfer protein activity PFIZER INC. (US) 2010-04-20 — — US disclosed
US-20090156685-A1 (R)-CHIRAL HALOGENATED SUBSTITUTED FUSED HETEROCYCLIC AMINO COMPOUNDS USEFUL FOR INHIBITING CHOLESTEROL ESTER TRANSFER PROTEIN ACTIVITY PFIZER INC 2009-06-18 — — US disclosed
US-20020177708-A1 (R)-chiral halogenated substituted N-benzyl-N-phenyl aminoalcohol compounds useful for inhibiting cholesteryl ester transfer protein activity SIKORSKI JAMES A (US) 2002-11-28 — — US disclosed
EP-1115695-A1 (R)-CHIRAL HALOGENATED 1-SUBSTITUTEDAMINO-(N+1)-ALKANOLS USEFUL FOR INHIBITING CHOLESTERYL ESTER TRANSFER PROTEIN ACTIVITY Monsanto Company (US) 2001-07-18 — — EP disclosed
WO-2000018724-A1 (R)-CHIRAL HALOGENATED 1-SUBSTITUTEDAMINO-(n+1)-ALKANOLS USEFUL FOR INHIBITING CHOLESTERYL ESTER TRANSFER PROTEIN ACTIVITY MONSANTO COMPANY (US) 2000-04-06 — — WO disclosed
US-5859283-A TERTIARY-BUTYL 3-CYCLOALKYL-3-OXOPROPIONATE RHONE-POULENC AGRICULTURE LIMITED (GB) 1999-01-12 — — US disclosed
US-5747424-A HEATING AN AROMATIC DIKETONE WITH A SALT OF HYDROXYLAMINE IN A SOLVENT RHONE-POULENC AGRICULTURE LTD. (GB) 1998-05-05 — — US disclosed
US-5656573-A Herbicidal 4-substituted isoxazoles RHONE-POULENC AGRICULTURE LTD. (GB) 1997-08-12 — — US disclosed
US-5650533-A Intermediates to herbicidal 4-substituted isoxazoles RHONE-POULENC AGRICULTURE LTD. (GB) 1997-07-22 — — US disclosed
EP-0418175-B1 Isoxazoles herbicides RHONE POULENC AGRICULTURE (GB) 1996-07-17 — — EP disclosed
EP-0418175-A2 Isoxazoles herbicides RHONE POULENC AGRICULTURE LTD. (GB) 1991-03-20 — — 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 (2 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-20020177708-A1 (R)-chiral halogenated substituted N-benzyl-N-phenyl aminoalcohol compounds useful for inhibiting cholesteryl ester transfer protein activity CETP, DBI, MTTP SLC6A2 1699/4885TAAR1 1798/4885CYP1A2 1962/4885
US-20090156685-A1 (R)-CHIRAL HALOGENATED SUBSTITUTED FUSED HETEROCYCLIC AMINO COMPOUNDS USEFUL FOR INHIBITING CHOLESTEROL ESTER TRANSFER PROTEIN ACTIVITY CETP, DBI, MTTP SLC6A2 2513/4885TAAR1 2041/4885CYP1A2 2385/4885

“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.