SCHEMBL6929882

SCHEMBL6929882

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

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.64
LMNA P02545 1/20 0.64
STAT3 P40763 1/20 0.64
MAPT P10636 5/20 0.61
MMP1 P03956 1/20 0.60
L3MBTL1 Q9Y468 2/20 0.60
GAA P10253 1/20 0.60
NR1H4 Q96RI1 2/20 0.59
KDM4E B2RXH2 3/20 0.58
ALDH1A1 P00352 3/20 0.58
TSHR P16473 2/20 0.58
HSD17B10 Q99714 2/20 0.58
RAB9A P51151 2/20 0.58
MCL1 Q07820 1/20 0.58
HPGD P15428 1/20 0.58
TAAR1 Q96RJ0 1/20 0.58
KMT2A Q03164 4/20 0.56
MEN1 O00255 3/20 0.56
HIF1A Q16665 1/20 0.56
NPC1 O15118 3/20 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
SCHEMBL6931478 0.96 GAA (0.62) SMN1; SMN2LMNASTAT3MAPTMMP1
SCHEMBL22192246 0.88 SMN1; SMN2 (0.81) SMN1; SMN2LMNASTAT3MAPTNR1H4
SCHEMBL3446913 0.88 L3MBTL1 (0.71) SMN1; SMN2LMNAMAPTMMP1L3MBTL1
SCHEMBL6929635 0.85 SMN1; SMN2 (0.59) SMN1; SMN2LMNASTAT3MAPTL3MBTL1
SCHEMBL6929634 0.85 SMN1; SMN2 (0.59) SMN1; SMN2LMNASTAT3MAPTL3MBTL1
SCHEMBL7821239 0.85 THRA (0.68) MMP1L3MBTL1TSHR
SCHEMBL6926777 0.84 NPC1 (0.71) SMN1; SMN2LMNAMMP1GAAKDM4E
SCHEMBL8754682 0.84 THRA (0.70) MMP1L3MBTL1TSHR
SCHEMBL7827962 0.84 THRA (0.70) MMP1L3MBTL1TSHR
SCHEMBL7821751 0.84 THRA (0.70) MMP1L3MBTL1TSHR

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.