SCHEMBL4352315

SCHEMBL4352315

CC(C)C(=O)CCCC[C]=O

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.34
LTA4H P09960 1/20 0.34
PTPN7 P35236 3/20 0.32
MEN1 O00255 1/20 0.32
FAAH O00519 1/20 0.32
MAPK1 P28482 1/20 0.32
KMT2A Q03164 1/20 0.32
HMGCR P04035 1/20 0.32
HDAC3 O15379 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC10 Q969S8 1/20 0.32
HDAC11 Q96DB2 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
HDAC9 Q9UKV0 1/20 0.32
HDAC5 Q9UQL6 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
SCHEMBL5730954 0.93 LTA4H (0.31) CES2LTA4H
SCHEMBL11869077 0.83
SCHEMBL17992598 0.83 CES2 (0.44) CES2LTA4HMEN1FAAHMAPK1
SCHEMBL26203820 0.80 CES2 (0.48) CES2LTA4HMEN1FAAHMAPK1
SCHEMBL27056796 0.80 CES2 (0.48) CES2LTA4HMEN1FAAHMAPK1
SCHEMBL9973392 0.80 CES2 (0.48) CES2LTA4HMEN1FAAHMAPK1
SCHEMBL18751717 0.80 CES2 (0.48) CES2LTA4HMEN1FAAHMAPK1
SCHEMBL26203818 0.80 CES2 (0.48) CES2LTA4HMEN1FAAHMAPK1
SCHEMBL9973396 0.80 CES2 (0.48) CES2LTA4HMEN1FAAHMAPK1
SCHEMBL9973391 0.80 CES2 (0.48) CES2LTA4HMEN1FAAHMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0627161-B1 Use of L-carnitine and alkanoyl L-carnitines in the storage of blood for transfusions and stabilizing solutions containing them SIGMA TAU IND FARMACEUTI (IT) 1998-09-09 EP claimed
EP-1496053-B1 Kappa-opioid receptor agonist comprising a 2-phenylbenzothiazoline derivative SANTEN PHARMACEUTICAL CO LTD (JP) 2012-06-20 EP disclosed
EP-2042173-A2 Kappa-opioid receptor agonist comprising 2-phenylbenzothiazoline derivative SANTEN PHARMACEUTICAL CO., LTD. (JP) 2009-04-01 EP disclosed
US-7410987-B2 Method for treating pain or pruritis by administering κ-opioid receptor agonist comprising 2-phenylbenzothiazoline derivative SANTEN PHARMACEUTICAL CO., LTD. (JP) 2008-08-12 US disclosed
US-7112598-B2 κ opioid receptor agonist comprising 2-phenylbenzothiazoline derivative SANTEN PHARMACEUTICAL CO., LTD. (JP) 2006-09-26 US disclosed
US-20060205796-A1 Method for treating pain or pruritis by administering opinoid receptor agonist comprising 2-phenylbenzothiazoling derivative SANTEN PHARMACEUTICAL CO., LTD. (JP) 2006-09-14 US disclosed
US-20050113430-A1 Kappa-opioid receptor agonist comprising 2-phenylbenzothiazoline derivative SANTEN PHARMACEUTICAL CO., LTD (JP) 2005-05-26 US disclosed
EP-1496053-A1 KAPPA-OPIOID RECEPTOR AGONIST COMPRISING 2-PHENYLBENZOTHIAZOLINE DERIVATIVE SANTEN PHARMACEUTICAL CO., LTD. (JP) 2005-01-12 EP disclosed
US-5409919-A Pharmaceutically acceptable salt of 7B-[2-(5-amino-1,2,4-thio-diazol-3-yl)-2(Z)-metho-xyiminoacetamido]-3-[(imidazo[1,2-b]pyridazinium-1-yl)methyl]-3-cephem-4-carboxylate and composition comprising same TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1995-04-25 US disclosed
US-4962100-A 3-Condensed imidazolium-cephem compounds TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1990-10-09 US disclosed
US-4946837-A ANTIBIOTICS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1990-08-07 US disclosed
US-4864022-A 3-Condensed imidazolium-cephem compounds TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1989-09-05 US disclosed
US-4788185-A Cephalosporin compounds TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1988-11-29 US disclosed
US-4665065-A 3-pyrazolo(1,5-aαpyridinium cephem compounds TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1987-05-12 US disclosed
WO-1986005183-A1 ANTIBACTERIAL COMPOUNDS, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1986-09-12 WO disclosed
EP-0164122-A2 Cephem compounds Takeda Chemical Industries, Ltd. (JP) 1985-12-11 EP disclosed
EP-0070433-B1 PHOSPHOLIPID DERIVATIVES, PROCESSES FOR PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITION OF THE SAME FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1985-11-27 EP disclosed
EP-0160252-A2 Antibacterial compounds Takeda Chemical Industries, Ltd. (JP) 1985-11-06 EP disclosed
EP-0148883-A1 ALLOPURINOL PRODRUGS. GEA AS (DK) 1985-07-24 EP disclosed
WO-1985000368-A1 ALLOPURINOL PRODRUGS A/S GEA (DK) 1985-01-31 WO 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-20050113430-A1 Kappa-opioid receptor agonist comprising 2-phenylbenzothiazoline derivative OPRK1, OPRD1, OPRL1 CES2 1361/4885LTA4H 2470/4885PTPN7 2011/4885
US-20060205796-A1 Method for treating pain or pruritis by administering opinoid receptor agonist comprising 2-phenylbenzothiazoling derivative OPRL1, OPRK1, OPRD1 CES2 767/4885LTA4H 328/4885PTPN7 2098/4885

“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.