SCHEMBL4833684

SCHEMBL4833684

CCOC(=O)c1cccc(N2CCCS2(O)O)c1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.55
TP53 P04637 5/20 0.51
MAPT P10636 1/20 0.51
ATM Q13315 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.48
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.48
POLB P06746 1/20 0.48
GALR1 P47211 1/20 0.47
ALOX15 P16050 1/20 0.45
PRKCA P17252 1/20 0.45
GSK3B P49841 1/20 0.45

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
SCHEMBL4833669 0.89 TP53 (0.64) ALOX5TP53MAPTATMSMN1; SMN2
SCHEMBL3097713 0.78 ALOX5 (0.60) ALOX5TP53MAPTATMSMN1; SMN2
SCHEMBL10144997 0.78 ALOX5 (0.60) ALOX5TP53MAPTATMSMN1; SMN2
SCHEMBL8698788 0.76 PLOD2 (0.56) ALOX5MAPTATMSMN1; SMN2ALDH1A1
SCHEMBL14881542 0.74 ALOX5 (0.56) ALOX5MAPTATMSMN1; SMN2ALDH1A1
SCHEMBL14881406 0.73 ALOX5 (0.55) ALOX5MAPTATMSMN1; SMN2ALDH1A1
SCHEMBL6499063 0.73 ALOX5 (0.50) ALOX5MAPTATMSMN1; SMN2ALDH1A1
SCHEMBL2306348 0.73 ALOX5 (0.58) ALOX5TP53MAPTATMSMN1; SMN2
SCHEMBL8698430 0.73 KMO (0.63) ALOX5MAPTATMSMN1; SMN2ALDH1A1
SCHEMBL7823334 0.73 ALDH1A1 (0.67) ALOX5MAPTATMSMN1; SMN2ALDH1A1

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-7442704-B2 Amide derivatives ASTRAZENECA AB (SE) 2008-10-28 US disclosed
US-7332483-B2 3-(5-benzamido-2-chlorophenyl)-7-methoxy-3,4-dihydroquinazolin-4-one;cytokines (tumor necrosis factor and interleukins) inhibitor; antiinflammatory agent, rheumatoid arthritis, osteoarthritis, psoriasis, chronic obstructive pulmonary disease ASTRAZENECA AB (SE) 2008-02-19 US disclosed
US-20060281734-A1 Amide derivatives BROWN DEARG S 2006-12-14 US disclosed
US-7008945-B1 Amide derivatives ASTRAZENECA AB (SE) 2006-03-07 US disclosed
US-20050245551-A1 Amide derivatives ASTRAZENECA AB 2005-11-03 US disclosed
CN-1178932-C Amide derivatives 2004-12-08 CN disclosed
CN-1350530-A Amide derivatives ASTRAZENECA AB (SE) 2002-05-22 CN 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-20050245551-A1 Amide derivatives IL6, IL6ST, IL1B ALOX5 481/4885TP53 2400/4885MAPT 4431/4885
US-20060281734-A1 Amide derivatives IL6, IL6ST, IL1B ALOX5 481/4885TP53 2400/4885MAPT 4431/4885

“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.