SCHEMBL1776200

SCHEMBL1776200

CS(=O)(=O)c1ncnn1CC(=O)CCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HMOX1 P09601 1/20 0.44
POLB P06746 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ALDH1A1 P00352 2/20 0.40
KEAP1 Q14145 1/20 0.38
HSD11B1 P28845 1/20 0.37
TRPA1 O75762 1/20 0.37
ALOX5 P09917 1/20 0.36
FFAR1 O14842 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C19 P33261 1/20 0.36
DAGLA Q9Y4D2 1/20 0.36

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
SCHEMBL1776092 0.80 HMOX1 (0.44) HMOX1POLBTDP1L3MBTL1ALDH1A1
SCHEMBL1774317 0.80 HMOX1 (0.50) HMOX1POLBTDP1L3MBTL1ALDH1A1
SCHEMBL10247577 0.79 HMOX1 (0.46) HMOX1TDP1L3MBTL1ALDH1A1KEAP1
SCHEMBL1775646 0.79 HMOX1 (0.43) HMOX1TDP1L3MBTL1ALDH1A1ALOX5
SCHEMBL12605905 0.78 HMOX1 (0.48) HMOX1TDP1L3MBTL1ALDH1A1KEAP1
Hydrochloric Acid SCHEMBL1774850 0.77 HMOX1 (0.47) HMOX1TDP1L3MBTL1ALDH1A1KEAP1
SCHEMBL10283949 0.76 HMOX1 (0.43) HMOX1TDP1L3MBTL1ALDH1A1KEAP1
SCHEMBL12060143 0.75 HMOX1 (0.42) HMOX1POLBTDP1L3MBTL1ALDH1A1
SCHEMBL15195183 0.74 HMOX1 (0.44) HMOX1TDP1L3MBTL1ALDH1A1KEAP1
SCHEMBL12605914 0.73 HMOX1 (0.43) HMOX1TDP1L3MBTL1ALDH1A1KEAP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140155445-A1 Compounds and Methods for Treating Cancer and Diseases of the Central Nervous System QUEEN'S UNIVERSITY AT KINGSTON (CA) 2014-06-05 US disclosed
US-20140155445-A1 Compounds and Methods for Treating Cancer and Diseases of the Central Nervous System QUEEN'S UNIVERSITY AT KINGSTON (CA) 2014-06-05 US disclosed
US-8513294-B2 Substituted imidazole derivatives and methods of use thereof for treating cancer OSTA BIOTECHNOLOGIES (CA) 2013-08-20 US disclosed
US-8513294-B2 Substituted imidazole derivatives and methods of use thereof for treating cancer OSTA BIOTECHNOLOGIES (CA) 2013-08-20 US disclosed
US-20110319459-A1 Compounds and Methods for Treating Cancer and Diseases of the Central Nervous System OSTA BIOTECHNOLOGIES (CA) 2011-12-29 US disclosed
US-7943650-B2 Methods of treating cancer with imidazolyl compounds OSTA BIOTECHNOLOGIES (CA) 2011-05-17 US disclosed
US-20090176831-A1 Compounds and Methods for Treating Cancer and Diseases of the Central Nervous System OSTA BIOTECHNOLOGIES (CA) 2009-07-09 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 (3 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-20110319459-A1 Compounds and Methods for Treating Cancer and Diseases of the Central Nervous System TXNRD2, HMOX1, HMOX2 HMOX1 2/4885POLB 823/4885TDP1 360/4885
US-20140155445-A1 Compounds and Methods for Treating Cancer and Diseases of the Central Nervous System HMOX1, HMOX2, CYC1 HMOX1 1/4885POLB 643/4885TDP1 679/4885
US-20090176831-A1 Compounds and Methods for Treating Cancer and Diseases of the Central Nervous System HMOX1, HMOX2, CYC1 HMOX1 1/4885POLB 918/4885TDP1 768/4885

“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.