SCHEMBL3308059

SCHEMBL3308059

C[C@@](O)(Cc1ccccc1)NCCCS(=O)(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 1/20 0.40
MMP9 P14780 1/20 0.40
MMP13 P45452 1/20 0.40
MMP8 P22894 4/20 0.40
POLB P06746 2/20 0.40
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
LMNA P02545 2/20 0.38
CASR P41180 1/20 0.38
CYP2D6 P10635 1/20 0.38
PTPN2 P17706 1/20 0.37
PTPN1 P18031 1/20 0.37
PTPRA P18433 1/20 0.37
PTPRB P23467 1/20 0.37
ALDH1A1 P00352 3/20 0.37
CYP3A4 P08684 2/20 0.37
KDM4E B2RXH2 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
BLM P54132 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
SCHEMBL10278357 0.87 CASR (0.46) MMP1MMP9MMP13MMP8POLB
SCHEMBL10277729 0.83 MMP1 (0.39) MMP1MMP9MMP13MMP8POLB
SCHEMBL10277809 0.81 MMP1 (0.38) MMP1MMP9MMP13MMP8POLB
SCHEMBL12226449 0.81 MMP1 (0.38) MMP1MMP9MMP13MMP8POLB
SCHEMBL350936 0.77 CYP2C19 (0.39) MEN1KMT2ALMNACYP2D6ALDH1A1
SCHEMBL10277814 0.74 NR1H4 (0.36) MMP1MMP9MMP13MMP8CASR
SCHEMBL10232031 0.73 ESR1 (0.43) MEN1KMT2ABLMADRB2
SCHEMBL10278299 0.73 CYP2C19 (0.36) POLBMEN1KMT2ALMNACYP2D6
SCHEMBL354792 0.73 HPGD (0.38) POLBMEN1KMT2ACASRALDH1A1
SCHEMBL354129 0.73 NR3C2 (0.37) MMP1MMP9MMP13POLBMEN1

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 MMP1 889/4885MMP9 977/4885MMP13 588/4885

“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.