SCHEMBL6925550

SCHEMBL6925550

O=C(O)CCC(=O)c1ccc(NC(=O)c2ccc(F)cc2F)cc1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SNCA P37840 3/20 0.60
L3MBTL1 Q9Y468 1/20 0.54
AVPR2 P30518 1/20 0.53
GPR27 Q9NS67 1/20 0.53
NPC1 O15118 3/20 0.52
RAB9A P51151 3/20 0.52
MAPT P10636 1/20 0.52
ALDH1A1 P00352 2/20 0.49
KDM4E B2RXH2 1/20 0.49
MAPK1 P28482 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
TP53 P04637 1/20 0.48
LMNA P02545 1/20 0.48
PKM P14618 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
MITF O75030 1/20 0.46

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
SCHEMBL6932522 0.85 SNCA (0.55) SNCAL3MBTL1AVPR2GPR27NPC1
SCHEMBL6931500 0.85 GPR27 (0.56) GPR27NPC1RAB9A
SCHEMBL6932520 0.85 SNCA (0.55) SNCAL3MBTL1AVPR2GPR27NPC1
SCHEMBL6926081 0.84 MEN1 (0.67) NPC1RAB9AMAPTALDH1A1KDM4E
SCHEMBL6925985 0.83 MITF (0.66) SNCANPC1RAB9ATDP1TP53
SCHEMBL6925556 0.80 NPC1 (0.64) L3MBTL1NPC1RAB9AMAPTALDH1A1
SCHEMBL6932000 0.79 TP53 (0.60) NPC1RAB9AMAPTALDH1A1KDM4E
SCHEMBL6544935 0.78 GPR27 (0.72) SNCAAVPR2GPR27NPC1RAB9A
SCHEMBL3527017 0.78 CES2 (0.57) ALDH1A1KDM4EMEN1KMT2A
SCHEMBL31661842 0.78 CES2 (0.57) ALDH1A1KDM4EMEN1KMT2A

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 SNCA 374/4885L3MBTL1 1253/4885AVPR2 3799/4885

“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.