Sugi Predict

Sugi Predict / Compounds / SCHEMBL3387467

SCHEMBL3387467

SCHEMBL3387467

CCOC(=O)CC(=O)CSC

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.58
▸ MGAM O43451 1/20 0.58
▸ SI P14410 1/20 0.58
▸ MGAM2 Q2M2H8 1/20 0.58
▸ HSD17B10 Q99714 2/20 0.47
▸ HDAC3 O15379 1/20 0.44
▸ HDAC1 Q13547 1/20 0.44
▸ HDAC2 Q92769 1/20 0.44
▸ HDAC6 Q9UBN7 1/20 0.44
▸ HDAC5 Q9UQL6 1/20 0.44
▸ ALDH1A1 P00352 5/20 0.43
▸ TRPA1 O75762 1/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ TDP1 Q9NUW8 2/20 0.43
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ HPGD P15428 3/20 0.40

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
SCHEMBL11464426 0.85 FAAH (0.46) GAAMGAMSIMGAM2HSD17B10
SCHEMBL11461915 0.82 FAAH (0.56) ALDH1A1HPGDFAAHNPSR1
SCHEMBL891469 0.81 — —
SCHEMBL155563 0.81 GAA (0.78) GAAMGAMSIMGAM2HSD17B10
SCHEMBL3388745 0.81 GAA (0.56) GAAMGAMSIMGAM2HSD17B10
SCHEMBL5731252 0.79 MGAM (0.46) GAAMGAMSIMGAM2HSD17B10
SCHEMBL10959041 0.79 GAA (0.54) GAAMGAMSIMGAM2HSD17B10
SCHEMBL28650988 0.79 GAA (0.74) GAAMGAMSIMGAM2HSD17B10
SCHEMBL10961170 0.78 TSHR (0.38) GAAMGAMSIMGAM2HSD17B10
SCHEMBL170105 0.78 GAA (0.52) GAAMGAMSIMGAM2HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4552770-A FOODS, CHEWING GUM INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1985-11-12 — — US claimed
US-9440917-B2 Method for producing 4-haloalkyl-3-mercapto-substituted 2-hydroxy-benzoic acid derivatives BAYER CROPSCIENCE AG (DE) 2016-09-13 — — US disclosed
EP-2931705-B1 METHOD FOR THE PREPARATION OF 4-HALOGENALKYL-3-MERCAPTO-SUBSTITUTED 2-HYDROXY BENZOIC ACID DERIVATIVES BAYER CROPSCIENCE AG (DE) 2016-03-23 — — EP disclosed
US-20150322003-A1 Method for Producing 4-Haloalkyl -3-Mercapto-Substituted 2-Hydroxy-Benzoic Acid Derivatives BAYER CROPSCIENCE AG (DE) 2015-11-12 — — US disclosed
EP-2931705-A1 METHOD FOR PRODUCING 4-HALOALKYL -3-MERCAPTO-SUBSTITUTED 2-HYDROXY-BENZOIC ACID DERIVATIVES Bayer CropScience AG (DE) 2015-10-21 — — EP disclosed
CN-104822655-A Method for producing 4-haloalkyl -3-mercapto-substituted 2-hydroxy-benzoic acid derivatives BAYER CROPSCIENCE AG 2015-08-05 — — CN disclosed
WO-2014090766-A1 METHOD FOR PRODUCING 4-HALOALKYL -3-MERCAPTO-SUBSTITUTED 2-HYDROXY-BENZOIC ACID DERIVATIVES BAYER CROPSCIENCE AG (DE) 2014-06-19 — — WO disclosed
US-20100298343-A1 5-LIPOXYGENASE-ACTIVATING PROTEIN (FLAP) INHIBITORS AMIRA PHARMACEUTICALS, INC. 2010-11-25 — — US disclosed
US-20100298343-A1 5-LIPOXYGENASE-ACTIVATING PROTEIN (FLAP) INHIBITORS AMIRA PHARMACEUTICALS, INC. 2010-11-25 — — US disclosed
EP-2207547-A2 5-LIPOXYGENASE-ACTIVATING PROTEIN (FLAP) INHIBITORS Amira Pharmaceuticals, Inc. (US) 2010-07-21 — — EP disclosed
EP-0275667-A1 3-hetero-substituted-N-benzyl-indoles MERCK FROSST CANADA INC. (CA) 1988-07-27 — — EP disclosed
US-4552770-A FOODS, CHEWING GUM INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1985-11-12 — — US disclosed
US-4521613-A ORGANOLEPTICS INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1985-06-04 — — US disclosed
US-4489088-A INSECTICIDE, MITICIDE BAYER AKTIENGESELLSCHAFT (DE) 1984-12-18 — — US disclosed
US-4307107-A Arthropodicidal N,N-dimethyl-O-(1,3,4-substituted-pyrazol(5)yl)-carbamic acid esters BAYER AKTIENGESELLSCHAFT (DE) 1981-12-22 — — US disclosed
US-4215132-A Combating arthropods with N,N-dimethyl-O-(3-substituted-pyrazol-5-yl)-carbamic acid esters BAYER AKTIENGESELLSCHAFT (DE) 1980-07-29 — — US disclosed
US-4188395-A 1,4-Dihydropyridine derivatives substituted in the 2 position, and their use as medicaments BAYER AKTIENGESELLSCHAFT (DE) 1980-02-12 — — US disclosed
US-4168304-A ARTHROPODICIDES, NEMATOCIDES BAYER AKTIENGESELLSCHAFT (DE) 1979-09-18 — — US disclosed
US-4120956-A Combating arthropods with 3-alkoxymethyl- and-alkylthiomethyl-pyrazol(5)yl(thiono)(thiol)-phosphoric(phosphonic) acid esters and ester-amides BAYER AKTIENGESELLSCHAFT (DE) 1978-10-17 — — US disclosed
US-3951975-A INSECTICIDES, ACARICIDES, NEMATOCIDES BAYER AKTIENGESELLSCHAFT (DT) 1976-04-20 — — 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 (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-20150322003-A1 Method for Producing 4-Haloalkyl -3-Mercapto-Substituted 2-Hydroxy-Benzoic Acid Derivatives BCKDK, GRHPR, KHK GAA 2125/4885MGAM 837/4885SI 1295/4885
US-20100298343-A1 5-LIPOXYGENASE-ACTIVATING PROTEIN (FLAP) INHIBITORS ALOX5, ALOX15B, ALOX15 GAA 2900/4885MGAM 2927/4885SI 3639/4885

“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.