SCHEMBL10278095

SCHEMBL10278095

Cc1ccc(CC2(NCCCS(=O)(=O)O)CCCC2)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ADRB2 P07550 2/20 0.34
CYP3A4 P08684 3/20 0.34
ALDH1A1 P00352 2/20 0.34
HTT P42858 1/20 0.34
CYP2C19 P33261 3/20 0.33
ITGB1 P05556 2/20 0.33
ITGA4 P13612 2/20 0.33
CYP2D6 P10635 1/20 0.33
TSHR P16473 1/20 0.33
GAA P10253 1/20 0.33
POLB P06746 2/20 0.33
PDE5A O76074 1/20 0.33
PDE1A P54750 1/20 0.33
PDE1B Q01064 1/20 0.33
PDE4D Q08499 1/20 0.33
PDE7A Q13946 1/20 0.33
PDE1C Q14123 1/20 0.33
PDE3A Q14432 1/20 0.33

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
SCHEMBL355641 0.99 ADRB2 (0.36) KMT2ASMN1; SMN2ADRB2CYP3A4ALDH1A1
SCHEMBL12226515 0.87 ADRB2 (0.34) ADRB2ALDH1A1HTTPDE5APDE1A
SCHEMBL10278380 0.87 ADRB2 (0.34) ADRB2ALDH1A1HTTITGB1ITGA4
SCHEMBL10278191 0.87 ADRB2 (0.34) KMT2AADRB2ALDH1A1HTTPOLB
SCHEMBL10278337 0.87 DRD2 (0.36) KMT2AADRB2CYP3A4ALDH1A1HTT
SCHEMBL10278348 0.86 GRIA4 (0.36) ADRB2ALDH1A1
SCHEMBL10278097 0.86 ALDH1A1 (0.40) KMT2ASMN1; SMN2ALDH1A1POLBCHRM2
SCHEMBL10277812 0.86 ADRB2 (0.36) KMT2AADRB2ALDH1A1HTTPDE5A
SCHEMBL10277808 0.86 DRD2 (0.38) KMT2AADRB2CYP3A4ALDH1A1HTT
SCHEMBL10278010 0.86 ADRB2 (0.36) KMT2ASMN1; SMN2ADRB2ALDH1A1HTT

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 13 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-20100113591-A1 METHODS AND COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES BELLUS HEALTH (INTERNATIONAL) LIMITED (CH) 2010-05-06 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-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 (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-20140329746-A1 METHODS AND COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES APP, PSEN1, PSEN2 KMT2A 4192/4885SMN1; SMN2 58/4885ADRB2 1298/4885
US-20140107027-A1 METHODS AND COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES APP, PSEN1, PSEN2 KMT2A 4192/4885SMN1; SMN2 58/4885ADRB2 1298/4885
US-20100113591-A1 METHODS AND COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES APP, PSEN1, PSEN2 KMT2A 4192/4885SMN1; SMN2 58/4885ADRB2 1298/4885
US-20120015911-A1 METHOD AND COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES APP, PSEN1, PSEN2 KMT2A 4354/4885SMN1; SMN2 77/4885ADRB2 1049/4885
US-20070010573-A1 Methods and compositions for treating amyloid-related diseases APP, PSEN1, PSEN2 KMT2A 4192/4885SMN1; SMN2 58/4885ADRB2 1298/4885

“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.