SCHEMBL6929922

SCHEMBL6929922

O=C(O)CCCC(=O)Nc1ccc(/C(CCC(=O)O)=N/O)cc1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.59
ALDH1A1 P00352 3/20 0.59
MEN1 O00255 4/20 0.57
KMT2A Q03164 4/20 0.57
MAPT P10636 2/20 0.57
CYP1A1 P04798 1/20 0.51
GAA P10253 4/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
NPSR1 Q6W5P4 1/20 0.51
HSD17B10 Q99714 1/20 0.51
LMNA P02545 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CYP2C9 P11712 1/20 0.47
HPGD P15428 1/20 0.47
CYP2C19 P33261 1/20 0.47
HDAC8 Q9BY41 1/20 0.47

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
SCHEMBL6929923 1.00 POLB (0.59) POLBALDH1A1MEN1KMT2AMAPT
SCHEMBL6929467 0.92 CYP1A1 (0.60) POLBALDH1A1MEN1KMT2AMAPT
SCHEMBL6929474 0.92 CYP1A1 (0.60) POLBALDH1A1MEN1KMT2AMAPT
SCHEMBL6931847 0.88 CYP1A1 (0.50) POLBALDH1A1MEN1KMT2AMAPT
SCHEMBL6924375 0.88 ALDH1A1 (0.54) ALDH1A1GAAL3MBTL1HPGD
SCHEMBL6927754 0.88 ALDH1A1 (0.54) ALDH1A1GAAL3MBTL1HPGD
SCHEMBL6924373 0.88 ALDH1A1 (0.54) ALDH1A1GAAL3MBTL1HPGD
SCHEMBL6925330 0.88 ALDH1A1 (0.54) ALDH1A1GAAL3MBTL1HPGD
SCHEMBL6931888 0.88 ALDH1A1 (0.54) ALDH1A1GAAL3MBTL1HPGD
SCHEMBL6925332 0.88 ALDH1A1 (0.54) ALDH1A1GAAL3MBTL1HPGD

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-6624196-B2 Particularly gelatinase A, collagenase-3, and stromelysin-1 and for the treatment of multiple sclerosis, cardiovascular disorders WARNER-LAMBERT COMPANY 2003-09-23 US claimed
US-6541521-B1 Particularly gelatinase A, collagenase-3, and stromelysin-1 WARNER-LAMBERT COMPANY 2003-04-01 US claimed
US-20020161050-A1 Benzene butyric acids and their derivatives as inhibitors of matrix metalloproteinases WARNER-LAMBERT COMPANY (US) 2002-10-31 US claimed
US-6624196-B2 Particularly gelatinase A, collagenase-3, and stromelysin-1 and for the treatment of multiple sclerosis, cardiovascular disorders WARNER-LAMBERT COMPANY 2003-09-23 US disclosed
US-6541521-B1 Particularly gelatinase A, collagenase-3, and stromelysin-1 WARNER-LAMBERT COMPANY 2003-04-01 US disclosed
US-20020161050-A1 Benzene butyric acids and their derivatives as inhibitors of matrix metalloproteinases WARNER-LAMBERT COMPANY (US) 2002-10-31 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-20020161050-A1 Benzene butyric acids and their derivatives as inhibitors of matrix metalloproteinases MMP1, MMP8, MMP13 POLB 237/4885ALDH1A1 1135/4885MEN1 3055/4885

“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.