SCHEMBL6932712

SCHEMBL6932712

O=C(O)CCC(=O)c1ccc(NC(=O)c2ccc3ccccc3c2)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 3/20 0.69
DEGS1 O15121 1/20 0.65
MEN1 O00255 4/20 0.63
KMT2A Q03164 4/20 0.63
NPC1 O15118 5/20 0.60
RAB9A P51151 5/20 0.60
CASP3 P42574 1/20 0.60
SENP7 Q9BQF6 1/20 0.60
KDM4E B2RXH2 1/20 0.59
GPR27 Q9NS67 1/20 0.57
PLAU P00749 2/20 0.57
CYP1A2 P05177 1/20 0.57
DGAT1 O75907 2/20 0.56
ENPP3 O14638 1/20 0.56
ENPP1 P22413 1/20 0.56
ENPP2 Q13822 1/20 0.56
POLB P06746 1/20 0.55
MAPT P10636 1/20 0.55
MCL1 Q07820 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55

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
SCHEMBL6927758 0.85 NR4A2 (0.67) NR1H4MEN1KMT2ANPC1RAB9A
SCHEMBL29435967 0.83 SMN1; SMN2 (0.72) NPC1RAB9AKDM4ECYP1A2SMN1; SMN2
SCHEMBL3527398 0.83 SMN1; SMN2 (0.72) NPC1RAB9AKDM4ECYP1A2SMN1; SMN2
SCHEMBL2467402 0.83 PLAU (0.78) NR1H4DEGS1MEN1KMT2ANPC1
SCHEMBL29435966 0.83 SMN1; SMN2 (0.72) NPC1RAB9AKDM4ECYP1A2SMN1; SMN2
SCHEMBL4328129 0.83 PTPN1 (0.69) NR1H4DEGS1MEN1KMT2ANPC1
SCHEMBL3656661 0.82 DEGS1 (0.77) NR1H4DEGS1MEN1KMT2ANPC1
SCHEMBL7480183 0.82 NR1H4 (1.00) NR1H4DEGS1MEN1KMT2ANPC1
SCHEMBL6924368 0.81 SMN1; SMN2 (0.73) NR1H4DEGS1MEN1KMT2ANPC1
SCHEMBL26885220 0.81 DEGS1 (0.79) NR1H4DEGS1MEN1KMT2ANPC1

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 2802/4885MEN1 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.