SCHEMBL29717

SCHEMBL29717

C=CCS(=O)(=O)S(=O)(=O)CCCCC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 4/20 0.43
TSHR P16473 3/20 0.41
CA2 P00918 6/20 0.39
ALDH1A1 P00352 2/20 0.39
NPC1 O15118 1/20 0.37
S1PR2 O95136 1/20 0.37
S1PR4 O95977 1/20 0.37
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
XBP1 P17861 1/20 0.37
S1PR1 P21453 1/20 0.37
MAPK1 P28482 1/20 0.37
AGTR1 P30556 1/20 0.37
HTT P42858 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 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
SCHEMBL10942331 0.83 FAAH (0.57) FAAHTSHRCA2ALDH1A1NPC1
SCHEMBL466032 0.82 CA2 (0.48) FAAHTSHRCA2ALDH1A1NPC1
SCHEMBL28917048 0.80 CA2 (0.52) FAAHTSHRCA2ALDH1A1CES1
SCHEMBL10945499 0.80 FAAH (0.62) FAAHTSHRCA2CES1CES2
SCHEMBL15234409 0.80 FAAH (0.62) FAAHTSHRCA2CES1CES2
SCHEMBL10944088 0.80 FAAH (0.62) FAAHTSHRCA2CES1CES2
SCHEMBL10947424 0.80 FAAH (0.62) FAAHTSHRCA2CES1CES2
SCHEMBL10946389 0.80 FAAH (0.62) FAAHTSHRCA2CES1CES2
SCHEMBL10946867 0.80 FAAH (0.62) FAAHTSHRCA2CES1CES2
SCHEMBL10946851 0.80 FAAH (0.55) FAAHTSHRCA2ALDH1A1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7585851-B2 3′-prodrugs of 2′-deoxy-β-L-nucleosides IDENIX PHARMACEUTICALS, INC. (US) 2009-09-08 US claimed
US-20090111801-A1 SUBSTITUTED PYRAZINONE DERIVATIVES FOR USE AS A MEDICINE JANSSEN PHARMACEUTICA N.V. (BE) 2009-04-30 US claimed
EP-1427708-B1 AMINO-PHTHALAZINONE DERIVATIVES AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM PFIZER ITALIA SRL (IT) 2008-09-10 EP claimed
WO-2007149163-A2 BIS-QUATERNARY AMMONIUM SALTS AND METHODS FOR MODULATING NEURONAL NICOTINIC ACETYLCHOLINE RECEPTORS UNIVERSITY OF KENTUCKY (US) 2007-12-27 WO claimed
EP-1786415-A1 METABOLISM-MODULATING AGENTS AND USES THEREFOR THE UNIVERSITY OF QUEENSLAND (AU) 2007-05-23 EP claimed
WO-2006130554-A2 METHODS OF TREATING HEPATITIS C VIRUS SCHERING CORPORATION (US) 2006-12-07 WO claimed
EP-1127054-A4 NOVEL INHIBITORS OF IMPDH ENZYME BRISTOL MYERS SQUIBB CO (US) 2006-11-02 EP claimed
US-7060720-B2 Inhibitors of IMPDH enzyme BRISTOL-MYERS SQUIBB CO. (US) 2006-06-13 US claimed
US-20060122245-A1 Novel inhibitors of IMPDH enzyme GU HENRY H 2006-06-08 US claimed
US-7053111-B2 Inhibitors of IMPDH enzyme BRISTOL-MYERS SQUIBB CO. (US) 2006-05-30 US claimed
US-6172226-B1 Synthons for the synthesis and deprotection of peptide nucleic acids under mild conditions PERSEPTIVE BIOSYSTEMS, INC. 2001-01-09 US claimed
EP-1054871-A2 PYRIMIDINES AND TRIAZINES AS INTEGRIN ANTAGONISTS Du Pont Pharmaceuticals Company (US) 2000-11-29 EP claimed
WO-2000026197-A9 NOVEL INHIBITORS OF IMPDH ENZYME BRISTOL MYERS SQUIBB CO (US) 2000-10-26 WO claimed
WO-2000025780-A1 COMPOUNDS DERIVED FROM AN AMINE NUCLEUS THAT ARE INHIBITORS OF IMPDH ENZYME BRISTOL-MYERS SQUIBB COMPANY (US) 2000-05-11 WO claimed
WO-2000026197-A1 NOVEL INHIBITORS OF IMPDH ENZYME BRISTOL-MYERS SQUIBB COMPANY (US) 2000-05-11 WO claimed
WO-1999050249-A2 PYRIMIDINES AND TRIAZINES AS INTEGRIN ANTAGONISTS DU PONT PHARMACEUTICALS COMPANY (US) 1999-10-07 WO claimed
EP-0891359-A1 NOVEL OXAZOLIDINE DERIVATIVES, PROCESS FOR THEIR PRODUCTION AND MEDICAMENTS CONTAINING THEM Roche Diagnostics GmbH (DE) 1999-01-20 EP claimed
WO-1997036899-A1 NOVEL OXAZOLIDINE DERIVATIVES, PROCESS FOR THEIR PRODUCTION AND MEDICAMENTS CONTAINING THEM BOEHRINGER MANNHEIM GMBH (DE) 1997-10-09 WO claimed
US-5280032-A 1,2-ethanediol derivative and salt thereof, process for producing the same, and cerebral function-improving agent comprising the same TOYAMA CHEMICAL CO., LTD. (JP) 1994-01-18 US claimed
US-4113495-A 2,4,4-TRIMETHYL-2-(2,5-DIHYDROXYPHENYL)-6-HYDROXY-CHROMANS FUJI PHOTO FILM CO., LTD. (JP) 1978-09-12 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 (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-20060122245-A1 Novel inhibitors of IMPDH enzyme IMPDH1, IMPDH2, IMPA1 FAAH 1721/4885TSHR 3647/4885CA2 3446/4885
US-20090111801-A1 SUBSTITUTED PYRAZINONE DERIVATIVES FOR USE AS A MEDICINE ADRA2C, ADRB2, CHRNA5 FAAH 2298/4885TSHR 2075/4885CA2 2453/4885

“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.