SCHEMBL657803

SCHEMBL657803

CC(=O)OCOC(=O)C(C(=O)OCOC(C)=O)C(CC(=O)c1ccc(Oc2ccccc2)cc1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 4/20 0.47
ERCC5 P28715 2/20 0.44
FEN1 P39748 2/20 0.44
MMP1 P03956 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SRD5A2 P31213 3/20 0.41
ALDH1A1 P00352 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
PARP10 Q53GL7 1/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38

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
SCHEMBL658600 0.86 PDPK1 (0.48) PDPK1MMP1L3MBTL1KMT2AMEN1
SCHEMBL658086 0.86 NPC1 (0.54) PDPK1ERCC5FEN1MMP1L3MBTL1
SCHEMBL657948 0.84 PDPK1 (0.50) PDPK1ALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL657351 0.83 PDPK1 (0.67) PDPK1ALDH1A1SMN1; SMN2KMT2A
SCHEMBL656362 0.83 ALDH1A1 (0.48) PDPK1L3MBTL1ALDH1A1
SCHEMBL657084 0.82 PDPK1 (0.68) PDPK1ERCC5FEN1MMP1L3MBTL1
SCHEMBL13385683 0.82 PDPK1 (0.56) PDPK1ERCC5FEN1MMP1L3MBTL1
SCHEMBL657975 0.78 PDPK1 (0.69) PDPK1L3MBTL1SMN1; SMN2
SCHEMBL657804 0.77 SRD5A2 (0.38) ERCC5FEN1MMP1L3MBTL1SRD5A2
SCHEMBL658184 0.75 PDPK1 (0.49) PDPK1L3MBTL1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2983473-A2 PHARMACEUTICAL COMPOSITION COMPRISING AN AMPK ACTIVATOR AND A SEROTONERGIC AGENT AND METHODS OF USE THEREOF ALS Mountain Llc (US) 2016-02-17 EP claimed
US-20140350064-A1 PHARMACEUTICAL COMPOSITION COMPRISING AN AMPK ACTIVATOR AND A SEROTONERGIC AGENT AND METHODS OF USE THEREOF ALS MOUNTAIN LLC 2014-11-27 US claimed
WO-2014144130-A2 PHARMACEUTICAL COMPOSITION COMPRISING AN AMPK ACTIVATOR AND A SEROTONERGIC AGENT AND METHODS OF USE THEREOF ALS MOUNTAIN LLC (US) 2014-09-18 WO claimed
US-20120183600-A1 NOVEL COMPOSITION FOR TREATING METABOLIC SYNDROME AND OTHER CONDITIONS CHEN CHIEN-HUNG (US) 2012-07-19 US claimed
US-20120046307-A1 ALLOSTERIC PROTEIN KINASE MODULATORS UNIVERSITAET DES SAARLANDES (DE) 2012-02-23 US claimed
EP-1789052-A4 COMPOSITION AND METHOD FOR INDUCING OR RESTORING LOCOMOTOR FUNCTIONS IN AN ANIMAL UNIV LAVAL (CA) 2008-05-21 EP claimed
US-20080096847-A1 Composition And Method For Inducing Or Restoring Locomotor Functions In An Animal UNIVERSITE LAVAL 2008-04-24 US claimed
EP-1789052-A1 COMPOSITION AND METHOD FOR INDUCING OR RESTORING LOCOMOTOR FUNCTIONS IN AN ANIMAL Université Laval (CA) 2007-05-30 EP claimed
WO-2006026850-A1 COMPOSITION AND METHOD FOR INDUCING OR RESTORING LOCOMOTOR FUNCTIONS IN AN ANIMAL UNIVERSITE LAVAL (CA) 2006-03-16 WO claimed
US-20030187055-A1 Synergistic pharmaceutical combinations for treating obesity BANK OF AMERICA, N.A., AS AGENT 2003-10-02 US claimed
US-20030162725-A1 Synergistic pharmaceutical combinations for treating obesity with EGCG BANK OF AMERICA, N.A., AS AGENT 2003-08-28 US claimed
US-6579899-B1 Precursor or prodrug of serotonin, tryptophan or 5-hydroxytryptophan MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2003-06-17 US claimed
WO-2002038141-A9 COMPOSITIONS AND METHODS FOR TREATMENT OF MILD COGNITIVE IMPAIRMENT MASSACHUSETTS INST TECHNOLOGY (US) 2003-02-13 WO claimed
US-20020173549-A1 Compositions and methods for treatment of mild cognitive impairment NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2002-11-21 US claimed
EP-1253915-A1 METHOD FOR TREATING STRESS WITH A PRECURSOR OF SEROTONIN Massachusetts Institute of Technology (US) 2002-11-06 EP claimed
WO-2002038141-A2 COMPOSITIONS AND METHODS FOR TREATMENT OF MILD COGNITIVE IMPAIRMENT MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2002-05-16 WO claimed
WO-2001054681-A2 COMPOSITION FOR TREATMENT OF STRESS MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2001-08-02 WO claimed
US-9315483-B2 Synthesis of deuterated catechols and benzo[D][1,3]dioxoles and derivatives thereof CONCERT PHARMACEUTICALS, INC. (US) 2016-04-19 US disclosed
WO-2001067890-A2 COMPOSITION AND METHOD TO TREAT WEIGHT GAIN AND OBESITY ATTRIBUTABLE TO PSYCHOTROPIC DRUGS MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2001-09-20 WO disclosed
WO-2001054681-A2 COMPOSITION FOR TREATMENT OF STRESS MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2001-08-02 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 (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-20120046307-A1 ALLOSTERIC PROTEIN KINASE MODULATORS AURKC, AURKA, AURKB PDPK1 109/4885ERCC5 3532/4885FEN1 3610/4885

“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.