SCHEMBL6931346

SCHEMBL6931346

O=CCC(C(=O)O)c1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 6/20 0.51
CASR P41180 1/20 0.47
KMT2A Q03164 5/20 0.46
MEN1 O00255 4/20 0.46
HTT P42858 3/20 0.45
NPC1 O15118 2/20 0.45
MAPT P10636 2/20 0.45
LMNA P02545 2/20 0.45
NLRP3 Q96P20 2/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
NLRP1 Q9C000 1/20 0.45
EPHX1 P07099 1/20 0.45
ADORA3 P0DMS8 1/20 0.45
CHRM1 P11229 1/20 0.45
SLC6A2 P23975 1/20 0.45
PDE4A P27815 1/20 0.45
EPHX2 P34913 1/20 0.45
ADRA1A P35348 1/20 0.45
OPRM1 P35372 1/20 0.45

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
SCHEMBL6931854 0.88 CASP3 (0.54) CNR1KMT2AMEN1NPC1MAPT
SCHEMBL15546561 0.88 KMT2A (0.54) KMT2AMEN1LMNAADORA3TSHR
SCHEMBL6931406 0.87 MAOA (0.54) CNR1KMT2AMEN1RAB9A
SCHEMBL6930406 0.86 SMN1; SMN2 (0.55) CASRKMT2AMEN1NPC1MAPT
SCHEMBL6931995 0.86 MEN1 (0.46) KMT2AMEN1HTTNPC1MAPT
SCHEMBL6931563 0.82 RAB9A (0.59) CASRKMT2AMEN1NPC1MAPT
SCHEMBL6925981 0.81 CA12 (0.51) KMT2AMEN1HTTNPC1MAPT
SCHEMBL6930408 0.79 GAA (0.54) KMT2AMEN1HTTNPC1MAPT
SCHEMBL3448862 0.74 CASR (0.64) CNR1CASRKMT2AMEN1HTT
SCHEMBL4741253 0.74 MEN1 (0.76) CNR1KMT2AMEN1HTTNPC1

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 CNR1 3591/4885CASR 3227/4885KMT2A 4700/4885

“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.