SCHEMBL6453719

SCHEMBL6453719

C[C@H](C(=O)O)N(C(=O)OC(C)(C)C)c1ccc(C#N)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.41
CHRNB4 P30926 1/20 0.41
CHRNA3 P32297 1/20 0.41
CHRNA4 P43681 1/20 0.41
PRSS1 P07477 4/20 0.41
CTSG P08311 4/20 0.41
CTRB1 P17538 4/20 0.41
CMA1 P23946 4/20 0.41
ABCB1 P08183 6/20 0.38
TRPA1 O75762 1/20 0.36
GPR119 Q8TDV5 2/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
MMP1 P03956 2/20 0.34
MMP2 P08253 2/20 0.34
MMP3 P08254 2/20 0.34
MMP7 P09237 2/20 0.34
MMP9 P14780 2/20 0.34
MMP13 P45452 2/20 0.34
ADRB2 P07550 1/20 0.34

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
SCHEMBL8813059 1.00 CHRNB2 (0.41) CHRNB2CHRNB4CHRNA3CHRNA4PRSS1
SCHEMBL8813051 1.00 CHRNB2 (0.41) CHRNB2CHRNB4CHRNA3CHRNA4PRSS1
SCHEMBL9382586 0.83 SMN1; SMN2 (0.41) CHRNB2CHRNB4CHRNA3CHRNA4PRSS1
SCHEMBL642839 0.83 SMN1; SMN2 (0.41) CHRNB2CHRNB4CHRNA3CHRNA4PRSS1
SCHEMBL8364820 0.82 MT-CO2 (0.45) CHRNB2CHRNB4CHRNA3CHRNA4KMT2A
SCHEMBL4648001 0.82 MT-CO2 (0.45) CHRNB2CHRNB4CHRNA3CHRNA4KMT2A
SCHEMBL2276227 0.82 MT-CO2 (0.45) CHRNB2CHRNB4CHRNA3CHRNA4KMT2A
SCHEMBL1208677 0.82 SMN1; SMN2 (0.37) PRSS1CTSGCTRB1CMA1KMT2A
SCHEMBL6832851 0.82 USP30 (0.32) PRSS1CTSGCTRB1CMA1MMP13
SCHEMBL5846260 0.82 KMT2A (0.40) KMT2AMEN1MMP13

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1237897-B1 ANTITHROMBOTIC COMPOUND MERCK SHARP & DOHME (NL) 2015-01-14 EP disclosed
US-6875755-B2 Antithrombotic compound AKZO NOBEL N.V. (NL) 2005-04-05 US disclosed
US-20030114361-A1 Antithrombotic compound MERCK SHARP & DOHME B.V. (NL) 2003-06-19 US disclosed
EP-1237897-A2 ANTITHROMBOTIC COMPOUND Akzo Nobel N.V. (NL) 2002-09-11 EP disclosed
WO-2001042262-A2 ANTITHROMBOTIC COMPOUND AKZO NOBEL N.V. (NL) 2001-06-14 WO 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-20030114361-A1 Antithrombotic compound SERPINC1, ADAMTS13, F2 CHRNB2 4761/4885CHRNB4 4712/4885CHRNA3 2533/4885

“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.