SCHEMBL6931486

SCHEMBL6931486

N#Cc1ccc(C(=O)Nc2ccc(C(CCC(=O)O)=NO)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 1/20 0.53
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
NAMPT P43490 2/20 0.48
MAPT P10636 2/20 0.48
POLB P06746 2/20 0.48
PTGDR2 Q9Y5Y4 1/20 0.47
F2 P00734 1/20 0.46
PLG P00747 1/20 0.46
PLAU P00749 1/20 0.46
KLKB1 P03952 1/20 0.46
PRSS1 P07477 1/20 0.46
CYP11B1 P15538 1/20 0.46
CYP11B2 P19099 1/20 0.46
ESR1 P03372 1/20 0.45
DPP4 P27487 1/20 0.44
CTNNB1 P35222 1/20 0.44
TCF7L2 Q9NQB0 1/20 0.44

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
SCHEMBL6931485 1.00 MLYCD (0.53) MLYCDKMT2AMEN1NPC1RAB9A
SCHEMBL6932768 0.87 PLAU (0.47) KMT2AMEN1NAMPTF2PLG
SCHEMBL6932764 0.87 PLAU (0.47) KMT2AMEN1NAMPTF2PLG
SCHEMBL6929458 0.85 NPC1 (0.57) KMT2AMEN1NPC1RAB9AMAPT
SCHEMBL6929457 0.85 NPC1 (0.57) KMT2AMEN1NPC1RAB9AMAPT
SCHEMBL6926015 0.84 MAPT (0.58) MLYCDKMT2AMEN1NPC1RAB9A
SCHEMBL7864065 0.84 MMP2 (0.54) RAB9ALMNASMN1; SMN2
SCHEMBL7864063 0.84 MMP2 (0.54) RAB9ALMNASMN1; SMN2
SCHEMBL6929674 0.83 POLB (0.57) KMT2AMEN1NPC1RAB9ANAMPT
SCHEMBL6930112 0.83 NPC1 (0.61) KMT2AMEN1NPC1RAB9ANAMPT

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 MLYCD 3597/4885KMT2A 4700/4885MEN1 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.