SCHEMBL10278413

SCHEMBL10278413

COc1ccc2[nH]cc(CCNCCCS(=O)(=O)O)c2c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 7/20 0.68
▸ MTNR1A P48039 7/20 0.63
▸ MTNR1B P49286 5/20 0.61
▸ ALDH1A1 P00352 2/20 0.61
▸ KMT2A Q03164 2/20 0.61
▸ KDM4E B2RXH2 1/20 0.61
▸ MEN1 O00255 1/20 0.61
▸ CYP1A1 P04798 1/20 0.61
▸ MPO P05164 1/20 0.61
▸ CYP1A2 P05177 1/20 0.61
▸ CYP3A4 P08684 1/20 0.61
▸ HTR1A P08908 1/20 0.61
▸ CYP2D6 P10635 1/20 0.61
▸ HPGD P15428 1/20 0.61
▸ NQO2 P16083 1/20 0.61
▸ HTR2B P41595 1/20 0.61
▸ RAB9A P51151 1/20 0.61
▸ BLM P54132 1/20 0.61
▸ PMP22 Q01453 1/20 0.61
▸ CYP1B1 Q16678 1/20 0.61

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
SCHEMBL4106853 0.85 HTR2A (0.77) HTR2AMTNR1AMPOHTR1A
SCHEMBL18409742 0.82 HTR2A (0.76) HTR2AMTNR1AMTNR1BALDH1A1KMT2A
SCHEMBL9019785 0.81 HTR2A (0.82) HTR2AMTNR1AMTNR1BALDH1A1KMT2A
SCHEMBL6923232 0.80 HTR2A (0.72) HTR2AMTNR1AMTNR1BALDH1A1KMT2A
SCHEMBL917538 0.80 MC5R (0.59) HTR2AALDH1A1KMT2AKDM4EMEN1
Melatonin SCHEMBL28165282 0.80 MTNR1A (0.91) MTNR1AMTNR1BALDH1A1KMT2AKDM4E
Melatonin SCHEMBL7171959 0.80 MTNR1A (0.91) MTNR1AMTNR1BALDH1A1KMT2AKDM4E
SCHEMBL24451304 0.80 HTR2A (1.00) HTR2AMTNR1AMTNR1BALDH1A1KMT2A
SCHEMBL30183412 0.80 HTR2A (1.00) HTR2AMTNR1AMTNR1BALDH1A1KMT2A
SCHEMBL28868158 0.79 MTNR1A (0.72) HTR2AMTNR1AMTNR1BALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140329746-A1 METHODS AND COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES NEUROCHEM (INTERNATIONAL) LIMITED (CH) 2014-11-06 — — US disclosed
US-8835654-B2 Method and compositions for treating amyloid-related diseases BHI LIMITED PARTNERSHIP (CA) 2014-09-16 — — US disclosed
US-20140107027-A1 METHODS AND COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES BHI LIMITED PARTNERSHIP (CA) 2014-04-17 — — US disclosed
US-8642801-B2 Methods and compositions for treating amyloid-related diseases BHI LIMITED PARTNERSHIP (CA) 2014-02-04 — — US disclosed
US-20120015911-A1 METHOD AND COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES BELLUS HEALTH INC. (CA) 2012-01-19 — — US disclosed
US-8044100-B2 Methods and compositions for treating amyloid-related diseases BELLUS HEALTH INC. (CA) 2011-10-25 — — US disclosed
US-8044100-B2 Methods and compositions for treating amyloid-related diseases BELLUS HEALTH INC. (CA) 2011-10-25 — — US disclosed
US-20110021813-A1 PHARMACEUTICAL DRUG CANDIDATES AND METHODS FOR PREPARATION THEREOF KONG XIANQI 2011-01-27 — — US disclosed
US-20100113591-A1 METHODS AND COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES BELLUS HEALTH (INTERNATIONAL) LIMITED (CH) 2010-05-06 — — US disclosed
US-7414076-B2 Methods and compositions for treating amyloid-related diseases NEUROCHEM (INTERNATIONAL) LIMITED (CH) 2008-08-19 — — US disclosed
US-7414076-B2 Methods and compositions for treating amyloid-related diseases NEUROCHEM (INTERNATIONAL) LIMITED (CH) 2008-08-19 — — US disclosed
US-20080027097-A1 PHARMACEUTICAL DRUG CANDIDATES AND METHODS FOR PREPARATION THEREOF NEUROCHEM (INTERNATIONAL) LIMITED (CH) 2008-01-31 — — US disclosed
US-20080027097-A1 PHARMACEUTICAL DRUG CANDIDATES AND METHODS FOR PREPARATION THEREOF NEUROCHEM (INTERNATIONAL) LIMITED (CH) 2008-01-31 — — US disclosed
US-7253306-B2 Pharmaceutical drug candidates and methods for preparation thereof NEUROCHEM (INTERNATIONAL) LIMITED (CH) 2007-08-07 — — US disclosed
US-7253306-B2 Pharmaceutical drug candidates and methods for preparation thereof NEUROCHEM (INTERNATIONAL) LIMITED (CH) 2007-08-07 — — US disclosed
US-20070010573-A1 Methods and compositions for treating amyloid-related diseases BELLUS HEALTH (INTERNATIONAL) LIMITED (CH) 2007-01-11 — — US disclosed
US-20070010573-A1 Methods and compositions for treating amyloid-related diseases BELLUS HEALTH (INTERNATIONAL) LIMITED (CH) 2007-01-11 — — 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 (7 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-20110021813-A1 PHARMACEUTICAL DRUG CANDIDATES AND METHODS FOR PREPARATION THEREOF MPST, TTR, STS HTR2A 4327/4885MTNR1A 2943/4885MTNR1B 2663/4885
US-20140329746-A1 METHODS AND COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES APP, PSEN1, PSEN2 HTR2A 2007/4885MTNR1A 1393/4885MTNR1B 1192/4885
US-20080027097-A1 PHARMACEUTICAL DRUG CANDIDATES AND METHODS FOR PREPARATION THEREOF MPST, TTR, STS HTR2A 4327/4885MTNR1A 2943/4885MTNR1B 2663/4885
US-20140107027-A1 METHODS AND COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES APP, PSEN1, PSEN2 HTR2A 2007/4885MTNR1A 1393/4885MTNR1B 1192/4885
US-20100113591-A1 METHODS AND COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES APP, PSEN1, PSEN2 HTR2A 2007/4885MTNR1A 1393/4885MTNR1B 1192/4885
US-20120015911-A1 METHOD AND COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES APP, PSEN1, PSEN2 HTR2A 2206/4885MTNR1A 1573/4885MTNR1B 1282/4885
US-20070010573-A1 Methods and compositions for treating amyloid-related diseases APP, PSEN1, PSEN2 HTR2A 2007/4885MTNR1A 1393/4885MTNR1B 1192/4885

“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.

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