SCHEMBL2819988

SCHEMBL2819988

CCCn1nc(-c2ccc(C)cc2)cc1COC(=O)c1ccc(SC(C)(C)C(=O)O)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.41
TDP1 Q9NUW8 2/20 0.41
ALDH1A1 P00352 4/20 0.37
HDAC3 O15379 3/20 0.37
HDAC4 P56524 3/20 0.37
HDAC1 Q13547 3/20 0.37
HDAC7 Q8WUI4 3/20 0.37
HDAC2 Q92769 3/20 0.37
HDAC10 Q969S8 3/20 0.37
HDAC11 Q96DB2 3/20 0.37
HDAC8 Q9BY41 3/20 0.37
HDAC6 Q9UBN7 3/20 0.37
HDAC9 Q9UKV0 3/20 0.37
HDAC5 Q9UQL6 3/20 0.37
NCOR2 Q9Y618 3/20 0.37
KDM4E B2RXH2 3/20 0.37
HSD17B10 Q99714 1/20 0.37
ALKBH5 Q6P6C2 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
CYP2D6 P10635 1/20 0.35

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
SCHEMBL2822805 0.93 SMN1; SMN2 (0.39) SMN1; SMN2TDP1ALDH1A1HSD17B10L3MBTL1
SCHEMBL2821656 0.86 TBXAS1 (0.36) TDP1ALDH1A1KDM4EALKBH5L3MBTL1
SCHEMBL2822650 0.85 PPARA (0.46) SMN1; SMN2TDP1ALDH1A1HDAC3HDAC4
SCHEMBL2826189 0.81 PHGDH (0.41) SMN1; SMN2TDP1ALDH1A1L3MBTL1MAPT
SCHEMBL2820072 0.77 ALDH1A1 (0.35) SMN1; SMN2TDP1ALDH1A1KDM4EALKBH5
SCHEMBL2819367 0.74 PPARA (0.55) PPARGPPARA
SCHEMBL2821913 0.74 ALDH1A1 (0.37) ALDH1A1HDAC3HDAC4HDAC1HDAC7
SCHEMBL2820153 0.74 ALDH1A1 (0.37) ALDH1A1HDAC3HDAC4HDAC1HDAC7
SCHEMBL2820147 0.74 ALDH1A1 (0.37) ALDH1A1HDAC3HDAC4HDAC1HDAC7
SCHEMBL2818812 0.73 TBXAS1 (0.43) ALDH1A1L3MBTL1CYP2D6MAPTPKM

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-20100184815-A1 AGONISTS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR-ALPHA MPM ASSET MANAGEMENT INVESTORS 2002 BVIII LLC 2010-07-22 US claimed
US-20100184815-A1 AGONISTS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR-ALPHA MPM ASSET MANAGEMENT INVESTORS 2002 BVIII LLC 2010-07-22 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-20100184815-A1 AGONISTS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR-ALPHA PPARA, PPARD, PPARG SMN1; SMN2 4788/4885TDP1 2408/4885ALDH1A1 461/4885

“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.