SCHEMBL13330232

SCHEMBL13330232

C[C@@H](NCCCS(=O)(=O)O)c1ccc(O)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.39
ALDH1A1 P00352 3/20 0.39
HSD17B10 Q99714 2/20 0.39
SLC6A2 P23975 3/20 0.38
SLC6A4 P31645 3/20 0.38
OPRM1 P35372 3/20 0.38
HIF1A Q16665 3/20 0.38
ADRB2 P07550 2/20 0.38
CYP2D6 P10635 2/20 0.38
ADRA1A P35348 2/20 0.38
SLC6A3 Q01959 2/20 0.38
GALR3 O60755 1/20 0.38
ADRB1 P08588 1/20 0.38
OPRK1 P41145 1/20 0.38
ESR1 P03372 1/20 0.37
PDCD1 Q15116 1/20 0.37
ESR2 Q92731 1/20 0.37
CD274 Q9NZQ7 1/20 0.37
ADRB3 P13945 1/20 0.37
TMEM97 Q5BJF2 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
SCHEMBL13330197 1.00 LMNA (0.39) LMNAALDH1A1HSD17B10SLC6A2SLC6A4
SCHEMBL353936 0.88 SMN1; SMN2 (0.40) LMNASLC6A2SLC6A4OPRM1CYP2D6
SCHEMBL355211 0.88 SMN1; SMN2 (0.40) LMNASLC6A2SLC6A4OPRM1CYP2D6
SCHEMBL354128 0.86 GABBR2 (0.42) LMNAALDH1A1SLC6A2SLC6A4OPRM1
SCHEMBL355152 0.86 SMN1; SMN2 (0.40) LMNAALDH1A1CYP1A2SMN1; SMN2
SCHEMBL355588 0.86 SMN1; SMN2 (0.40) LMNAALDH1A1CYP1A2SMN1; SMN2
SCHEMBL6009898 0.86 HTT (0.43) LMNAALDH1A1CYP2D6CYP3A4HTR1A
SCHEMBL6009893 0.86 HTT (0.43) LMNAALDH1A1CYP2D6CYP3A4HTR1A
SCHEMBL6009922 0.86 HTT (0.43) LMNAALDH1A1CYP2D6CYP3A4HTR1A
SCHEMBL353073 0.86 GABBR2 (0.42) LMNAALDH1A1SLC6A2SLC6A4OPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8642801-B2 Methods and compositions for treating amyloid-related diseases BHI LIMITED PARTNERSHIP (CA) 2014-02-04 US disclosed
US-20100113591-A1 METHODS AND COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES BELLUS HEALTH (INTERNATIONAL) LIMITED (CH) 2010-05-06 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 (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-20100113591-A1 METHODS AND COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES APP, PSEN1, PSEN2 LMNA 71/4885ALDH1A1 2989/4885HSD17B10 1008/4885

“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.