SCHEMBL2798653

SCHEMBL2798653

CCSc1ccc(C=O)c(SCC)c1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.41
TYMS P04818 1/20 0.38
TDP1 Q9NUW8 3/20 0.34
GSK3B P49841 1/20 0.34
SLC6A4 P31645 5/20 0.33
MAOA P21397 1/20 0.33
L3MBTL1 Q9Y468 3/20 0.33
LMNA P02545 1/20 0.33
HPGD P15428 2/20 0.32
MAPT P10636 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
PTGS2 P35354 1/20 0.31
GAA P10253 1/20 0.31
EPHX2 P34913 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
HTR2B P41595 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
SCHEMBL16666323 0.81 TDP1 (0.52) ALDH1A1TDP1L3MBTL1LMNAHPGD
SCHEMBL27140027 0.80 ALDH1A1 (0.40) ALDH1A1TDP1L3MBTL1MAPT
SCHEMBL28470181 0.80 ALDH1A1 (0.40) ALDH1A1TDP1
SCHEMBL17075433 0.80 TYR (0.47) ALDH1A1TYMSSLC6A4MAPTPTGS2
SCHEMBL27993122 0.80 ERN1 (0.43) ALDH1A1TDP1L3MBTL1LMNAHPGD
SCHEMBL16706976 0.80 LMNA (0.46) ALDH1A1TYMSTDP1GSK3BSLC6A4
SCHEMBL28671981 0.80 ALDH1A1 (0.48) ALDH1A1TDP1L3MBTL1LMNA
SCHEMBL27001987 0.77 ALDH1A1 (0.54) ALDH1A1TDP1L3MBTL1LMNAHPGD
SCHEMBL9952937 0.76 DDR1 (0.42) ALDH1A1L3MBTL1LMNAMAPTNPSR1
SCHEMBL17474206 0.76 ALDH1A1 (0.37) ALDH1A1HPGDMAPTGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100168112-A1 2-Substituted and 4-substituted aryl nitrone compounds RENOVIS, INC. 2010-07-01 US disclosed
EP-1753714-A4 2-SUBSTITUTED AND 4-SUBSTITUTED ARYL NITRONE COMPOUDS RENOVIS INC (US) 2007-10-17 EP disclosed
EP-1753714-A2 2-SUBSTITUTED AND 4-SUBSTITUTED ARYL NITRONE COMPOUDS Renovis, Inc. (US) 2007-02-21 EP disclosed
WO-2005079270-A2 2-SUBSTITUTED AND 4-SUBSTITUTED ARYL NITRONE COMPOUDS RENOVIS, INC. (US) 2005-09-01 WO disclosed
US-20050182060-A1 2-Substituted and 4-substituted aryl nitrone compounds RENOVIS, INC. 2005-08-18 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-20100168112-A1 2-Substituted and 4-substituted aryl nitrone compounds CXCR2, CCL5, CCL2 ALDH1A1 226/4885TYMS 3837/4885TDP1 3308/4885
US-20050182060-A1 2-Substituted and 4-substituted aryl nitrone compounds CXCR2, CCL5, CCL2 ALDH1A1 226/4885TYMS 3837/4885TDP1 3308/4885

“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.