SCHEMBL10232157

SCHEMBL10232157

Cc1cccc(C(O)C2(NCCCS(=O)(=O)O)CCCC2)c1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 6/20 0.34
HDAC4 P56524 1/20 0.33
KMT2A Q03164 2/20 0.33
KCNQ2 O43526 1/20 0.33
LMNA P02545 1/20 0.32
HDAC1 Q13547 1/20 0.32
CYP3A4 P08684 2/20 0.31
CYP2C19 P33261 2/20 0.31
ACP3 P15309 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP2C9 P11712 1/20 0.31

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
SCHEMBL354580 0.86 SLC6A2 (0.41) ALDH1A1
SCHEMBL354787 0.85 KMT2A (0.33) KMT2A
SCHEMBL6008679 0.84 SLC6A2 (0.40) KMT2AKCNQ2ACP3
SCHEMBL6009455 0.83 SLC6A2 (0.42) KMT2AKCNQ2ACP3
SCHEMBL6008692 0.79 MEN1 (0.33) KMT2AALDH1A1
SCHEMBL27686863 0.78 GRIN2D (0.32)
SCHEMBL6008648 0.78 HSD11B1 (0.32) KMT2AALDH1A1
SCHEMBL10278487 0.74 CYP3A4 (0.32) KMT2ACYP3A4CYP2C19ALDH1A1CYP2C9
SCHEMBL10278290 0.71 FBP1 (0.37) FBP1KMT2ALMNAHDAC1ACP3
SCHEMBL10277899 0.68 GABBR2 (0.33) KMT2A

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 3 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-20120015911-A1 METHOD AND COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES BELLUS HEALTH INC. (CA) 2012-01-19 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 (2 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 FBP1 1872/4885HDAC4 3703/4885KMT2A 4192/4885
US-20120015911-A1 METHOD AND COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES APP, PSEN1, PSEN2 FBP1 1504/4885HDAC4 4131/4885KMT2A 4354/4885

“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.