SCHEMBL4833669

SCHEMBL4833669

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

nearest known ligand 0.64

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TP53 P04637 8/20 0.64
MAPT P10636 1/20 0.63
POLB P06746 1/20 0.62
ALOX5 P09917 1/20 0.56
SMN1; SMN2 Q16637 3/20 0.55
ATM Q13315 1/20 0.50
ALDH1A1 P00352 1/20 0.49
LMNA P02545 1/20 0.49
GALR1 P47211 1/20 0.48

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
SCHEMBL4833684 0.89 ALOX5 (0.55) TP53MAPTPOLBALOX5SMN1; SMN2
SCHEMBL6828696 0.85 TP53 (0.67) TP53MAPTPOLBSMN1; SMN2ALDH1A1
SCHEMBL14584575 0.82 POLB (0.70) TP53MAPTPOLBALOX5SMN1; SMN2
SCHEMBL4397150 0.81 POLB (0.91) TP53MAPTPOLBSMN1; SMN2ALDH1A1
SCHEMBL10144997 0.79 ALOX5 (0.60) TP53MAPTALOX5SMN1; SMN2ATM
SCHEMBL3097713 0.79 ALOX5 (0.60) TP53MAPTALOX5SMN1; SMN2ATM
SCHEMBL8698788 0.77 PLOD2 (0.56) MAPTALOX5SMN1; SMN2ATMALDH1A1
SCHEMBL10192187 0.76 TP53 (0.64) TP53MAPTPOLBALOX5SMN1; SMN2
SCHEMBL6499621 0.76 ATM (0.55) MAPTALOX5SMN1; SMN2ATMALDH1A1
SCHEMBL14881542 0.75 ALOX5 (0.56) MAPTPOLBALOX5SMN1; SMN2ATM

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 6 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
WO-2005030709-A1 NOVEL SULFONE AMIDE DERIVATIVES CAPABLE OF INHIBITING BACE LG LIFE SCIENCES LTD. (KR) 2005-04-07 WO 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 TP53 2400/4885MAPT 4431/4885POLB 3576/4885
US-20060281734-A1 Amide derivatives IL6, IL6ST, IL1B TP53 2400/4885MAPT 4431/4885POLB 3576/4885

“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.