SCHEMBL6927772

SCHEMBL6927772

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 1/20 0.56
NR4A2 P43354 1/20 0.55
KMT2A Q03164 5/20 0.55
POLB P06746 3/20 0.54
RAB9A P51151 2/20 0.53
FFAR1 O14842 1/20 0.53
LMNA P02545 1/20 0.53
CYP1A2 P05177 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
HIF1A Q16665 1/20 0.53
MEN1 O00255 3/20 0.53
TP53 P04637 1/20 0.53
ATM Q13315 1/20 0.51
GAA P10253 2/20 0.50
NPC1 O15118 1/20 0.50
BCHE P06276 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
USP5 P45974 1/20 0.50
ALDH1A1 P00352 1/20 0.50
CYP2C19 P33261 1/20 0.50

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
SCHEMBL6929377 0.91 CYP1A1 (0.68) CYP1A1NR4A2KMT2APOLBMEN1
SCHEMBL6926005 0.86 ALDH1A1 (0.61) CYP1A1NR4A2KMT2APOLBRAB9A
SCHEMBL6932654 0.86 POLB (0.66) CYP1A1NR4A2KMT2APOLBMEN1
SCHEMBL11182406 0.86 ALDH1A1 (0.56) CYP1A1NR4A2KMT2APOLBRAB9A
SCHEMBL10412724 0.85 TP53 (0.56) CYP1A1NR4A2KMT2APOLBMEN1
SCHEMBL6925996 0.85 TP53 (0.62) CYP1A1KMT2APOLBRAB9ASMN1; SMN2
SCHEMBL6929656 0.82 EPHX2 (0.65) NR4A2KMT2APOLBRAB9AFFAR1
SCHEMBL6929716 0.82 ALDH1A1 (0.67) CYP1A1KMT2APOLBMEN1ATM
SCHEMBL3527238 0.82 ALDH1A1 (0.64) NR4A2KMT2ARAB9AFFAR1LMNA
SCHEMBL6930465 0.81 MAPT (0.69) KMT2APOLBRAB9ALMNAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 CYP1A1 1065/4885NR4A2 3872/4885KMT2A 4700/4885

“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.