SCHEMBL6931306

SCHEMBL6931306

O=C(O)CCC(=O)c1ccc(NC(=O)c2cccc3ccccc23)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.66
DEGS1 O15121 1/20 0.62
NPC1 O15118 1/20 0.60
RAB9A P51151 1/20 0.60
MEN1 O00255 6/20 0.60
KMT2A Q03164 6/20 0.60
PTGDR2 Q9Y5Y4 1/20 0.56
PPARG P37231 1/20 0.53
H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 P62805 1/20 0.51
EP300 Q09472 1/20 0.51
PRMT1 Q99873 1/20 0.51
CA12 O43570 1/20 0.50
CA2 P00918 1/20 0.50
CA9 Q16790 1/20 0.50
ALDH1A1 P00352 1/20 0.49
HPGD P15428 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
NR4A2 P43354 1/20 0.49
MITF O75030 1/20 0.48
LMNA P02545 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
SCHEMBL6930098 0.85 NR1H4 (0.60) NR1H4DEGS1NPC1RAB9AMEN1
SCHEMBL3659132 0.83 DEGS1 (0.72) NR1H4DEGS1NPC1RAB9AMEN1
SCHEMBL5656688 0.82 LMNA (0.64) NPC1RAB9AMEN1KMT2AHPGD
SCHEMBL368228 0.81 DEGS1 (0.78) NR1H4DEGS1NPC1RAB9AMEN1
SCHEMBL31150345 0.81 DEGS1 (0.78) NR1H4DEGS1NPC1RAB9AMEN1
SCHEMBL6931785 0.81 KMT2A (0.65) NR1H4RAB9AMEN1KMT2AALDH1A1
SCHEMBL6926081 0.81 MEN1 (0.67) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL6927758 0.80 NR4A2 (0.67) NR1H4NPC1RAB9AMEN1KMT2A
SCHEMBL7433371 0.80 NR1H4 (1.00) NR1H4DEGS1NPC1RAB9AMEN1
SCHEMBL26886081 0.80 ALDH1A1 (0.68) NR1H4DEGS1NPC1RAB9AMEN1

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 NR1H4 3620/4885DEGS1 2802/4885NPC1 2628/4885

“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.