Sugi Predict

Sugi Predict / Compounds / SCHEMBL732202

SCHEMBL732202

SCHEMBL732202

CC(C)(C)c1ccccc1S

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.50
▸ TDP1 Q9NUW8 2/20 0.50
▸ TSHR P16473 1/20 0.50
▸ CA2 P00918 1/20 0.46
▸ GABRA1 P14867 1/20 0.39
▸ GABRB2 P47870 1/20 0.39
▸ KIF11 P52732 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.33
▸ MAPT P10636 3/20 0.33
▸ ALOX12 P18054 2/20 0.32
▸ GRIN2D O15399 1/20 0.32
▸ GRIN3B O60391 1/20 0.32
▸ GRIN1 Q05586 1/20 0.32
▸ GRIN2A Q12879 1/20 0.32
▸ GRIN2B Q13224 1/20 0.32
▸ GRIN2C Q14957 1/20 0.32
▸ GRIN3A Q8TCU5 1/20 0.32
▸ SIGMAR1 Q99720 1/20 0.32
▸ ATM Q13315 1/20 0.32
▸ HDAC8 Q9BY41 1/20 0.32

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
SCHEMBL30772132 1.00 ALDH1A1 (0.50) ALDH1A1TDP1TSHRCA2GABRA1
SCHEMBL6256646 0.97 ALDH1A1 (0.48) ALDH1A1TDP1TSHRCA2GABRA1
SCHEMBL22367879 0.97 ALDH1A1 (0.48) ALDH1A1TDP1TSHRCA2GABRA1
Water SCHEMBL9956053 0.97 ALDH1A1 (0.48) ALDH1A1TDP1TSHRCA2GABRA1
SCHEMBL27669481 0.93 ALDH1A1 (0.44) ALDH1A1TDP1TSHRCA2GABRA1
SCHEMBL9396200 0.83 ALDH1A1 (0.39) ALDH1A1TDP1TSHRCA2GABRA1
Tromethamine SCHEMBL6864022 0.82 ALDH1A1 (0.41) ALDH1A1TDP1TSHRCA2GABRA1
SCHEMBL28696471 0.80 ALDH1A1 (0.43) ALDH1A1TDP1TSHRCA2GABRA1
Trifluoromethanesulfonic Acid SCHEMBL4225729 0.80 TSHR (0.44) ALDH1A1TDP1TSHRCA2CYP1A2
SCHEMBL14849661 0.79 ALDH1A1 (0.42) ALDH1A1TDP1TSHRCA2GABRA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117599851-A Novel catalyst for synthesizing p-aminophenol by catalytic hydrogenation of nitrobenzene, preparation method and application thereof 南京大学 2024-02-27 — — CN claimed
CN-114414711-B Identification method of onium salt photoacid generator in photoresist 北京彤程创展科技有限公司 2023-10-13 — — CN claimed
CN-115245824-A Precise metal cluster-based composite catalyst and preparation method and application thereof 南京大学 2022-10-28 — — CN claimed
CN-114588896-A Precise metal cluster-based composite catalyst and preparation method and application thereof 南京大学 2022-06-07 — — CN claimed
EP-3944739-A2 METHODS OF CARBON-CARBON BOND FRAGMENTATION The Regents of the University of California (US) 2022-02-02 — — EP claimed
CN-113415994-A Novel antibacterial glaze based on silver nanoclusters 青岛科技大学 2021-09-21 — — CN claimed
WO-2021127642-A1 SELECTIVE VALORIZATION OF BIOMASS SUGARS MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2021-06-24 — — WO claimed
EP-2142485-B1 METALLIC SURFACE ENHANCEMENT MACDERMID ENTHONE INC (US) 2019-07-24 — — EP claimed
CN-108373520-A A kind of acrylate copolymer and the photoetching compositions comprising it 江苏汉拓光学材料有限公司 2018-08-07 — — CN claimed
CN-108132584-A A kind of photoetching compositions comprising poly(4-hydroxystyrene) Type of Collective object and acrylate copolymer 江苏汉拓光学材料有限公司 2018-06-08 — — CN claimed
US-20020007523-A1 Compositions for dyeing keratinous fibres, containing pyrazolo-azoles; their use for dyeing, as couplers; method of dyeing L' OREAL S.A. 2002-01-24 — — US claimed
US-20010054205-A1 Pyrazoline-3, 5-dione-containing compositions for dyeing keratin fibres; their use in dyeing as couplers; dyeing process L'OREAL 2001-12-27 — — US claimed
US-20010020309-A1 Compositions for dyeing keratinous fibres, containing pyrrolo-azoles; use as couplers; method of dyeing L'OREAL S.A. 2001-09-13 — — US claimed
EP-1112269-A2 HIV PROTEASE INHIBITORS WARNER-LAMBERT COMPANY (US) 2001-07-04 — — EP claimed
US-6238440-B1 OXIDATION-DYEING HAIR L'OREAL S.A. (FR) 2001-05-29 — — US claimed
US-6231623-B1 OXIDATIVE DYES L'OREAL S.A. (FR) 2001-05-15 — — US claimed
EP-0888109-B1 KERATIN FIBRE DYE COMPOSITION CONTAINING PYRAZOLO-PYRIMIDINEOXO COMPOUNDS, USE THEREOF AS DYE COUPLERS, AND DYEING METHODS OREAL (FR) 2000-08-30 — — EP claimed
EP-0893985-B1 KERATIN FIBRE DYE COMPOSITIONS CONTAINING IMIDAZOLO-AZOLE COMPOUNDS, USE THEREOF AS DYE COUPLERS, AND DYEING METHOD OREAL (FR) 2000-04-12 — — EP claimed
WO-2000015634-A2 HIV PROTEASE INHIBITORS WARNER-LAMBERT COMPANY (US) 2000-03-23 — — WO claimed
US-5290911-A Forming polymers by catalytic oxidative coupling RESEARCH INSTITUTE FOR PRODUCTION DEVELOPMENT (JP) 1994-03-01 — — US 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 (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-20010054205-A1 Pyrazoline-3, 5-dione-containing compositions for dyeing keratin fibres; their use in dyeing as couplers; dyeing process KRT18, PYCR1, COX5A ALDH1A1 125/4885TDP1 1903/4885TSHR 1688/4885
US-20010020309-A1 Compositions for dyeing keratinous fibres, containing pyrrolo-azoles; use as couplers; method of dyeing KRT18, KAT7, CBR3 ALDH1A1 944/4885TDP1 3273/4885TSHR 1356/4885
US-20020007523-A1 Compositions for dyeing keratinous fibres, containing pyrazolo-azoles; their use for dyeing, as couplers; method of dyeing KRT18, ZYX, CBR3 ALDH1A1 650/4885TDP1 3126/4885TSHR 1655/4885

“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.