SCHEMBL8239483

SCHEMBL8239483

COC(=O)c1cc(C(=O)OC)cc(N2CCCOC2=O)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.40
ALOX15 P16050 2/20 0.40
HSD17B10 Q99714 2/20 0.40
HPGD P15428 1/20 0.40
MGLL Q99685 1/20 0.40
NPSR1 Q6W5P4 2/20 0.40
GAA P10253 2/20 0.40
KDM4E B2RXH2 5/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
F10 P00742 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
MAPT P10636 1/20 0.37
PKM P14618 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
SCHEMBL3348715 0.91 KDM1A (0.41) ALDH1A1ALOX15HSD17B10HPGDMGLL
SCHEMBL1962554 0.82 NOTUM (0.43) ALDH1A1ALOX15HSD17B10HPGDMGLL
SCHEMBL475775 0.79 MEN1 (0.56) ALDH1A1HPGDGAANPC1RAB9A
SCHEMBL30443816 0.78 KDM1A (0.54) ALDH1A1ALOX15HPGDGAANPC1
SCHEMBL5853439 0.78 KDM1A (0.54) ALDH1A1ALOX15HPGDGAANPC1
SCHEMBL1015595 0.77 ALDH1A1 (0.52) ALDH1A1ALOX15HSD17B10HPGDMGLL
SCHEMBL5219444 0.76 MEN1 (0.56) ALDH1A1HPGDGAANPC1RAB9A
SCHEMBL5221306 0.75 ALDH1A1 (0.58) ALDH1A1HPGDGAANPC1RAB9A
SCHEMBL13229402 0.75 THRB (0.42) ALDH1A1HSD17B10NPSR1GAAKDM4E
SCHEMBL3344704 0.74 KDM5B (0.52) HSD17B10MGLLNPC1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100298278-A1 INHIBITORS OF BETA-SECRETASE FOR THE TREATMENT OF ALZHEIMER'S DISEASE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-11-25 US disclosed
US-20100298278-A1 INHIBITORS OF BETA-SECRETASE FOR THE TREATMENT OF ALZHEIMER'S DISEASE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-11-25 US disclosed
US-20100204160-A1 SUBSTITUTED 1,2-ETHYLENEDIAMINES, METHODS FOR PREPARING THEM AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-08-12 US disclosed
US-20100204160-A1 SUBSTITUTED 1,2-ETHYLENEDIAMINES, METHODS FOR PREPARING THEM AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-08-12 US disclosed
US-20100168070-A1 COMPOUNDS FOR THE TREATMENT OF ALZHEIMER'S DISEASE HEINE NIKLAS 2010-07-01 US disclosed
US-20100168070-A1 COMPOUNDS FOR THE TREATMENT OF ALZHEIMER'S DISEASE HEINE NIKLAS 2010-07-01 US disclosed
US-20100144681-A1 COMPOUNDS FOR THE TREATMENT OF ALZHEIMER'S DISEASE BOEHRINGER INGELHEIM INTERNATION GMNB (DE) 2010-06-10 US disclosed
US-20100144681-A1 COMPOUNDS FOR THE TREATMENT OF ALZHEIMER'S DISEASE BOEHRINGER INGELHEIM INTERNATION GMNB (DE) 2010-06-10 US disclosed
US-7713961-B2 Substituted 1,2-ethylenediamines, methods for preparing them and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-05-11 US disclosed
US-7713961-B2 Substituted 1,2-ethylenediamines, methods for preparing them and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-05-11 US disclosed
US-20090325940-A1 Substituted 1,2-ethylenediamines, Methods for Preparing Them and Uses Thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-12-31 US disclosed
US-20090325940-A1 Substituted 1,2-ethylenediamines, Methods for Preparing Them and Uses Thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-12-31 US disclosed
WO-2007017507-A1 BETA-SECRETASE INHIBITORS FOR USE IN THE TREATMENT OF ALZHEIMER'S DISEASE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-02-15 WO disclosed
WO-2007017511-A2 COMPOUNDS FOR TREATING ALZHEIMER'S DISEASE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-02-15 WO disclosed
WO-2007017510-A2 ISOPHTHALIC ACID DIAMIDES FOR TREATING ALZHEIMER'S DISEASE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-02-15 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 (5 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-20100298278-A1 INHIBITORS OF BETA-SECRETASE FOR THE TREATMENT OF ALZHEIMER'S DISEASE BACE1, BACE2, PSEN1 ALDH1A1 871/4885ALOX15 3231/4885HSD17B10 1589/4885
US-20100168070-A1 COMPOUNDS FOR THE TREATMENT OF ALZHEIMER'S DISEASE PSEN1, PSEN2, ADORA3 ALDH1A1 206/4885ALOX15 697/4885HSD17B10 1258/4885
US-20100204160-A1 SUBSTITUTED 1,2-ETHYLENEDIAMINES, METHODS FOR PREPARING THEM AND USES THEREOF PSEN1, PSEN2, BACE1 ALDH1A1 511/4885ALOX15 1598/4885HSD17B10 2823/4885
US-20100144681-A1 COMPOUNDS FOR THE TREATMENT OF ALZHEIMER'S DISEASE PSEN1, PSEN2, ADORA3 ALDH1A1 232/4885ALOX15 708/4885HSD17B10 1209/4885
US-20090325940-A1 Substituted 1,2-ethylenediamines, Methods for Preparing Them and Uses Thereof PSEN1, PSEN2, BACE1 ALDH1A1 511/4885ALOX15 1598/4885HSD17B10 2823/4885

“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.