SCHEMBL6931428

SCHEMBL6931428

O=C(O)CCC(=O)c1ccc(NC(=O)Oc2ccccc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.59
MAPT P10636 3/20 0.59
MEN1 O00255 4/20 0.58
KMT2A Q03164 4/20 0.58
THRB P10828 2/20 0.58
HPGD P15428 1/20 0.58
RAD51 Q06609 1/20 0.57
POLB P06746 1/20 0.56
KDM4E B2RXH2 1/20 0.55
GFER P55789 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
NR4A2 P43354 1/20 0.54
GAA P10253 3/20 0.54
LMNA P02545 2/20 0.54
TP53 P04637 1/20 0.54
RAB9A P51151 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
CYP1A2 P05177 2/20 0.53
FFAR1 O14842 1/20 0.53
HIF1A Q16665 1/20 0.53

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
SCHEMBL6931395 0.87 TP53 (0.52) ALDH1A1MAPTMEN1KMT2ATHRB
SCHEMBL6930634 0.87 KMT2A (0.62) ALDH1A1MAPTMEN1KMT2ATHRB
SCHEMBL6931746 0.87 KMT2A (0.52) ALDH1A1MAPTMEN1KMT2ATHRB
SCHEMBL6926773 0.87 ALDH1A1 (0.62) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL6930455 0.87 FAAH (0.56) ALDH1A1MAPTMEN1KMT2ATHRB
SCHEMBL6926103 0.84 TRPV1 (0.50) ALDH1A1POLBRAB9AFAAH
SCHEMBL8063648 0.82 ALDH1A1 (0.82) ALDH1A1MAPTMEN1KMT2ATHRB
SCHEMBL25203498 0.81 ALDH1A1 (0.70) ALDH1A1MAPTMEN1KMT2ATHRB
SCHEMBL6926222 0.80 MLYCD (0.64) ALDH1A1MAPTMEN1KMT2APOLB
SCHEMBL6215261 0.80 ALDH1A1 (0.68) ALDH1A1MAPTMEN1KMT2ATHRB

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 ALDH1A1 1135/4885MAPT 718/4885MEN1 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.