SCHEMBL108400

SCHEMBL108400

CC(=O)Oc1ccc(C(=O)N2CCN(C(=O)c3ccc(C)c(C)c3)CC2)cc1OC(C)=O

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.56
HPGD P15428 3/20 0.56
TP53 P04637 1/20 0.56
TSHR P16473 5/20 0.56
GAA P10253 2/20 0.53
KDM4E B2RXH2 2/20 0.53
RAB9A P51151 1/20 0.53
SMN1; SMN2 Q16637 3/20 0.51
NPSR1 Q6W5P4 2/20 0.51
HTT P42858 1/20 0.51
MAPT P10636 1/20 0.50
ATM Q13315 1/20 0.50
POLB P06746 1/20 0.50
CYP2C19 P33261 1/20 0.50
GPR183 P32249 1/20 0.49
LMNA P02545 1/20 0.48
KMT2A Q03164 1/20 0.48

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
SCHEMBL178913 0.91 ALDH1A1 (0.62) ALDH1A1HPGDTP53TSHRGAA
SCHEMBL9012958 0.86 KMT2A (0.56) ALDH1A1HPGDTSHRGAAKDM4E
SCHEMBL109326 0.81 ALDH1A1 (0.47) ALDH1A1HPGDTP53TSHRGAA
SCHEMBL13503858 0.77 HPGD (0.67) ALDH1A1HPGDTP53TSHRSMN1; SMN2
SCHEMBL12569382 0.77 HPGD (0.71) ALDH1A1HPGDTP53TSHRGAA
SCHEMBL12569383 0.77 HPGD (0.73) ALDH1A1HPGDTP53TSHRGAA
SCHEMBL17689127 0.76 HPGD (0.73) ALDH1A1HPGDTP53TSHRGAA
SCHEMBL24365820 0.74 ALDH1A1 (0.59) ALDH1A1HPGDGAAKDM4ESMN1; SMN2
SCHEMBL10207544 0.74 ALDH1A1 (0.59) ALDH1A1HPGDGAAKDM4ESMN1; SMN2
SCHEMBL108189 0.74 TSHR (0.51) ALDH1A1TSHRGAAKDM4ERAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9051253-B2 Compounds, compositions and methods for the treatment of amyloid diseases and synucleinopathies such as alzheimer's disease, type 2 diabetes, and parkinson's PROTEOTECH INC. (US) 2015-06-09 US disclosed
US-8895554-B2 Compounds, compositions and methods for the treatment of amyloid diseases and synucleinopathies such as Alzheimer's disease, type 2 diabetes, and Parkinson's disease PROTEOTECH INC (US) 2014-11-25 US disclosed
US-8754133-B2 Compounds, compositions and methods for the treatment of inflammatory diseases PROTEOTECH, INC. (US) 2014-06-17 US disclosed
US-20140038980-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR THE TREATMENT OF AMYLOID DISEASES AND SYNUCLEINOPATHIES SUCH AS ALZHEIMER'S DISEASE, TYPE 2 DIABETES, AND PARKINSON'S DISEASE PROTAMED, INC. 2014-02-06 US disclosed
US-8586585-B2 Compounds, compositions and methods for the treatment of amyloid diseases and synucleinopathies such as Alzheimer's disease, type 2 diabetes and Parkinson's disease PROTEOTECH, INC. (US) 2013-11-19 US disclosed
US-20130245128-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR THE TREATMENT OF AMYLOID DISEASES AND SYNUCLEINOPATHIES SUCH AS ALZHEIMER'S DISEASE, TYPE 2 DIABETES, AND PARKINSON'S DISEASE PROTAMED, INC. 2013-09-19 US disclosed
US-20120225890-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR THE TREATMENT OF AMYLOID DISEASES AND SYNUCLEINOPATHIES SUCH AS ALZHEIMER'S DISEASE, TYPE 2 DIABETES AND PARKINSON'S DISEASE PROTAMED, INC. 2012-09-06 US disclosed
US-8163957-B2 Compounds, compositions and methods for the treatment of amyloid diseases and synucleinopathies such as alzheimer's disease, type 2 diabetes and parkinson's disease PROTEOTECH, INC. (US) 2012-04-24 US disclosed
US-20120058998-A1 Compounds, Compositions and Methods for the Treatment of Inflammatory Diseases PROTAMED, INC. 2012-03-08 US disclosed
US-20110172239-A1 Compounds, Compositions and Methods for the Treatment of Amyloid Diseases and Synucleinopathies such as Alzheimer's Disease, Type 2 Diabetes and Parkinson's Disease PROTAMED, INC. 2011-07-14 US 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-20120225890-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR THE TREATMENT OF AMYLOID DISEASES AND SYNUCLEINOPATHIES SUCH AS ALZHEIMER'S DISEASE, TYPE 2 DIABETES AND PARKINSON'S DISEASE IAPP, SNCA, APP ALDH1A1 2631/4885HPGD 2343/4885TP53 1094/4885
US-20120058998-A1 Compounds, Compositions and Methods for the Treatment of Inflammatory Diseases NR1H2, NR1H3, MSR1 ALDH1A1 2018/4885HPGD 2220/4885TP53 3927/4885
US-20140038980-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR THE TREATMENT OF AMYLOID DISEASES AND SYNUCLEINOPATHIES SUCH AS ALZHEIMER'S DISEASE, TYPE 2 DIABETES, AND PARKINSON'S DISEASE IAPP, SNCA, APP ALDH1A1 2767/4885HPGD 2330/4885TP53 1099/4885
US-20130245128-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR THE TREATMENT OF AMYLOID DISEASES AND SYNUCLEINOPATHIES SUCH AS ALZHEIMER'S DISEASE, TYPE 2 DIABETES, AND PARKINSON'S DISEASE IAPP, SNCA, APP ALDH1A1 3153/4885HPGD 2353/4885TP53 1640/4885
US-20110172239-A1 Compounds, Compositions and Methods for the Treatment of Amyloid Diseases and Synucleinopathies such as Alzheimer's Disease, Type 2 Diabetes and Parkinson's Disease IAPP, SNCA, APP ALDH1A1 2631/4885HPGD 2343/4885TP53 1094/4885

“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.