SCHEMBL2770033

SCHEMBL2770033

CCCCCCCCCCCCCC(=O)S

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 4/20 0.62
CES1 P23141 4/20 0.62
GPR84 Q9NQS5 7/20 0.59
PPARG P37231 7/20 0.59
PPARD Q03181 7/20 0.59
PPARA Q07869 7/20 0.59
HDAC11 Q96DB2 5/20 0.59
TSHR P16473 5/20 0.59
PTPN1 P18031 3/20 0.59
ALDH1A1 P00352 3/20 0.59
TLR2 O60603 2/20 0.59
TDP1 Q9NUW8 2/20 0.59
FABP4 P15090 2/20 0.59
KMT2A Q03164 2/20 0.59
SLC22A6 Q4U2R8 1/20 0.59
SLC22A8 Q8TCC7 1/20 0.59
MEN1 O00255 1/20 0.59
ESR1 P03372 1/20 0.59
ALOX15 P16050 1/20 0.59
PDE4A P27815 1/20 0.59

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
SCHEMBL8364614 1.00 CES2 (0.62) CES2CES1GPR84PPARGPPARD
SCHEMBL368595 1.00
SCHEMBL8368438 1.00 CES2 (0.62) CES2CES1GPR84PPARGPPARD
SCHEMBL5179381 1.00 CES2 (0.62) CES2CES1GPR84PPARGPPARD
SCHEMBL8367953 1.00 CES2 (0.62) CES2CES1GPR84PPARGPPARD
SCHEMBL8367955 1.00 CES2 (0.62) CES2CES1GPR84PPARGPPARD
SCHEMBL583038 1.00 CES2 (0.62) CES2CES1GPR84PPARGPPARD
SCHEMBL543736 1.00 CES2 (0.62) CES2CES1GPR84PPARGPPARD
SCHEMBL8799322 1.00 CES2 (0.62) CES2CES1GPR84PPARGPPARD
SCHEMBL8364543 1.00 CES2 (0.62) CES2CES1GPR84PPARGPPARD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0401193-B1 Rubber compositions having improved processability MONSANTO EUROPE SA (BE) 1996-09-18 EP claimed
US-5023289-A Alkylthioalkanoic acid flow control agent MONSANTO EUROPE, S.A. (BE) 1991-06-11 US claimed
EP-0401193-A1 Rubber compositions having improved processability MONSANTO EUROPE S.A./N.V. (BE) 1990-12-05 EP claimed
US-4559153-A MINERAL OR SYNTHETIC OIL, ALKYLTHIOHYDROCARBYL CARBOXYLIC ACID ANDVEGETABLE OR ANIMAL OIL; COLD ROLLING OF STEEL PHILLIPS PETROLEUM COMPANY (US) 1985-12-17 US claimed
EP-0142078-A1 Metal working lubricant PHILLIPS PETROLEUM COMPANY (US) 1985-05-22 EP claimed
JP-3095240-A None JP disclosed
US-9795586-B2 HNF4-α antagonist and use thereof NATIONAL CANCER CENTER (KR) 2017-10-24 US disclosed
US-9795586-B2 HNF4-α antagonist and use thereof NATIONAL CANCER CENTER (KR) 2017-10-24 US disclosed
US-20170189371-A1 HNF4-alpha ANTAGONIST AND USE THEREOF NATIONAL CANCER CENTER (KR) 2017-07-06 US disclosed
US-20170189371-A1 HNF4-alpha ANTAGONIST AND USE THEREOF NATIONAL CANCER CENTER (KR) 2017-07-06 US disclosed
CN-103665170-A Peptide therapeutic conjugates and uses thereof ANGIOCHEM INC 2014-03-26 CN disclosed
CN-102348723-A Peptide therapeutic agent conjugates and uses thereof ANGIOCHEM INC 2012-02-08 CN disclosed
EP-0250087-A1 Pentaerythritol co-esters MALLINCKRODT, INC. (US) 1987-12-23 EP disclosed
EP-0240212-A2 Preparation of highly pure alpha-methylstyrene polymer THE DOW CHEMICAL COMPANY (US) 1987-10-07 EP disclosed
EP-0234512-A2 Crystaline block copolymer and process for producing the same Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1987-09-02 EP disclosed
US-4559153-A MINERAL OR SYNTHETIC OIL, ALKYLTHIOHYDROCARBYL CARBOXYLIC ACID ANDVEGETABLE OR ANIMAL OIL; COLD ROLLING OF STEEL PHILLIPS PETROLEUM COMPANY (US) 1985-12-17 US disclosed
US-4559153-A MINERAL OR SYNTHETIC OIL, ALKYLTHIOHYDROCARBYL CARBOXYLIC ACID ANDVEGETABLE OR ANIMAL OIL; COLD ROLLING OF STEEL PHILLIPS PETROLEUM COMPANY (US) 1985-12-17 US disclosed
EP-0142078-A1 Metal working lubricant PHILLIPS PETROLEUM COMPANY (US) 1985-05-22 EP disclosed
EP-0142078-A1 Metal working lubricant PHILLIPS PETROLEUM COMPANY (US) 1985-05-22 EP disclosed
EP-0086757-A1 Derivatives of alpha or beta-mercaptopropionylamidoacetic acids, processes for their preparation and the therapeutic compositions which include them as active principles Farmatis S.r.l. (IT) 1983-08-24 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 (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-20170189371-A1 HNF4-alpha ANTAGONIST AND USE THEREOF HNF4A, TCF4, WNT3A CES2 4714/4885CES1 1902/4885GPR84 126/4885

“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.