Sugi Predict

Sugi Predict / Compounds / SCHEMBL6097343

SCHEMBL6097343

SCHEMBL6097343

N#CC(C(=O)C(F)(F)F)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.44
▸ ALDH1A1 P00352 2/20 0.41
▸ LMNA P02545 2/20 0.41
▸ HPGD P15428 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ USP2 O75604 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ CTSL P07711 2/20 0.40
▸ CTSS P25774 1/20 0.40
▸ CTSK P43235 1/20 0.40
▸ TRPA1 O75762 1/20 0.39
▸ CES1 P23141 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ CNR1 P21554 3/20 0.38
▸ CNR2 P34972 3/20 0.38
▸ AKR1C3 P42330 1/20 0.38
▸ AKR1C1 Q04828 1/20 0.38
▸ ALPG P10696 1/20 0.38

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
SCHEMBL9171467 0.86 MAOA (0.41) TSHRALDH1A1LMNAHPGDSMN1; SMN2
SCHEMBL8764471 0.86 TSHR (0.41) TSHRALDH1A1LMNAHPGDSMN1; SMN2
SCHEMBL8765615 0.84 LMNA (0.49) ALDH1A1LMNAHPGDSMN1; SMN2USP2
SCHEMBL166050 0.82 HDAC4 (0.41) TSHRALDH1A1LMNAHPGDSMN1; SMN2
SCHEMBL10686138 0.81 ALDH1A1 (0.45) TSHRALDH1A1LMNAHPGDSMN1; SMN2
SCHEMBL11813692 0.78 TSHR (0.52) TSHRALDH1A1LMNAHPGDSMN1; SMN2
SCHEMBL1019171 0.78 TSHR (0.52) TSHRALDH1A1LMNAHPGDSMN1; SMN2
SCHEMBL6960576 0.76 TSHR (0.50) TSHRALDH1A1LMNAHPGDSMN1; SMN2
Ammonia Solution, Strong SCHEMBL38661532 0.76 TSHR (0.50) TSHRALDH1A1LMNAHPGDSMN1; SMN2
SCHEMBL28924301 0.76 ALDH1A1 (0.38) TSHRALDH1A1CYP2D6

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10953012-B2 Heterocyclic compounds for the inhibition of pask BIOENERGENIX LLC (US) 2021-03-23 — — US disclosed
US-10953012-B2 Heterocyclic compounds for the inhibition of pask BIOENERGENIX LLC (US) 2021-03-23 — — US disclosed
WO-2012149157-A2 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK BIOENERGENIX (US) 2012-11-01 — — WO disclosed
WO-2012149157-A2 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK BIOENERGENIX (US) 2012-11-01 — — WO disclosed
US-20120277224-A1 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK BIOENERGENIX (US) 2012-11-01 — — US disclosed
US-20120277224-A1 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK BIOENERGENIX (US) 2012-11-01 — — US disclosed
US-20120277224-A1 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK BIOENERGENIX (US) 2012-11-01 — — US disclosed
US-7001917-B2 Pyrazole compounds as anti-inflammatory and analgesic agents WARNER LAMBERT COMPANY LLC (US) 2006-02-21 — — US disclosed
US-20040019045-A1 2-(4-(4-(4-Fluorophenyl)-3,5-imethyl-1H-pyrazol-1-yl)phenyl) ethyl (4-methylphenyl)sulfonylcarbamate ammonium salt, e.g., as an antagonist for Prostoglandin E receptor; analgesics; antipyretics; antiinflammatory agents HIRANO MISATO (JP) 2004-01-29 — — US disclosed
US-6013664-A REACTING THIOPHENE-2-CARBOXYLIC ACID DERIVATIVE WITH AMINE, HYDROXY OR MERCAPTO DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 2000-01-11 — — US disclosed
EP-0944615-A1 MICROBICIDAL AGENTS BASED ON THIOPHENE-2-CARBOXYLIC ACID DERIVATIVES BAYER AG (DE) 1999-09-29 — — EP disclosed
WO-1998023605-A1 MICROBICIDAL AGENTS BASED ON THIOPHENE-2-CARBOXYLIC ACID DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 1998-06-04 — — WO disclosed
EP-0375670-B1 Process for preparing 3-polyfluoroalkylisoxazolylamines SHIONOGI & CO (JP) 1997-08-06 — — EP disclosed
EP-0220947-B1 Polyfluoroalkylisoxazolylamines, their preparation and use SHIONOGI & CO (JP) 1994-06-15 — — EP disclosed
EP-0375670-A2 Process for preparing 3-polyfluoroalkylisoxazolylamines SHIONOGI & CO., LTD. (JP) 1990-06-27 — — EP disclosed
US-4797492-A INTERMEDIATES FOR BACTERICIDES; HERBICIDES OR FUNGICIDES SHIONOGI & CO., LTD. (JP) 1989-01-10 — — US disclosed
EP-0220947-A2 Polyfluoroalkylisoxazolylamines, their preparation and use SHIONOGI & CO., LTD. (JP) 1987-05-06 — — EP disclosed
US-4122278-A INTERMEDIATES FOR DYES PRODUITS CHIMIQUES UGINE KUHLMANN (FR) 1978-10-24 — — US disclosed
US-4101540-A USEFUL FOR DYEING ACRYLONITRILE POLYMERS OR ACID-MODIFIED POLYESTERS OR POLYAMIDES PRODUITS CHIMIQUES UGINE KUHLMANN (FR) 1978-07-18 — — 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 (3 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-20040019045-A1 2-(4-(4-(4-Fluorophenyl)-3,5-imethyl-1H-pyrazol-1-yl)phenyl) ethyl (4-methylphenyl)sulfonylcarbamate ammonium salt, e.g., as an antagonist for Prostoglandin E receptor; analgesics; antipyretics; antiinflammatory agents PTGER1, PTGS1, PTGIR TSHR 1639/4885ALDH1A1 1304/4885LMNA 4316/4885
US-20120277224-A1 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK PASK, PDXK, PANK2 TSHR 3180/4885ALDH1A1 3714/4885LMNA 1114/4885
US-10953012-B2 Heterocyclic compounds for the inhibition of pask PASK, PDXK, PANK2 TSHR 3180/4885ALDH1A1 3714/4885LMNA 1114/4885

“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.