SCHEMBL6929634

SCHEMBL6929634

CCCCOc1ccc(C(=O)Nc2ccc(/C(CCC(=O)O)=N/O)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.59
LMNA P02545 2/20 0.59
STAT3 P40763 1/20 0.59
MAPT P10636 9/20 0.56
GAA P10253 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
NR1H4 Q96RI1 2/20 0.55
KDM4E B2RXH2 4/20 0.54
ALDH1A1 P00352 3/20 0.54
TSHR P16473 2/20 0.54
HSD17B10 Q99714 2/20 0.54
RAB9A P51151 2/20 0.54
MCL1 Q07820 1/20 0.54
HPGD P15428 1/20 0.54
TAAR1 Q96RJ0 1/20 0.54
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
HIF1A Q16665 1/20 0.52
NPC1 O15118 2/20 0.51
TP53 P04637 2/20 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
SCHEMBL6929635 1.00 SMN1; SMN2 (0.59) SMN1; SMN2LMNASTAT3MAPTGAA
SCHEMBL6929882 0.85 SMN1; SMN2 (0.64) SMN1; SMN2LMNASTAT3MAPTGAA
SCHEMBL6930119 0.85 NPC1 (0.64) SMN1; SMN2LMNAGAAKDM4EALDH1A1
SCHEMBL6930117 0.85 NPC1 (0.64) SMN1; SMN2LMNAGAAKDM4EALDH1A1
SCHEMBL22192246 0.83 SMN1; SMN2 (0.81) SMN1; SMN2LMNASTAT3MAPTNR1H4
SCHEMBL6931226 0.83 TRPV1 (0.58) NR1H4KDM4EPLK1
SCHEMBL6931223 0.83 TRPV1 (0.58) NR1H4KDM4EPLK1
SCHEMBL6931478 0.82 GAA (0.62) SMN1; SMN2LMNASTAT3MAPTGAA
SCHEMBL6926156 0.82 NR1H4 (0.52) SMN1; SMN2LMNAMAPTGAANR1H4
SCHEMBL6926157 0.82 NR1H4 (0.52) SMN1; SMN2LMNAMAPTGAANR1H4

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 SMN1; SMN2 208/4885LMNA 569/4885STAT3 4113/4885

“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.