SCHEMBL6140672

SCHEMBL6140672

C#CCN(CCCC)C(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA14 Q9ULX7 2/20 0.42
CA12 O43570 3/20 0.38
CA1 P00915 3/20 0.38
CA9 Q16790 2/20 0.38
MMP1 P03956 1/20 0.36
MMP2 P08253 1/20 0.36
MMP3 P08254 1/20 0.36
MMP8 P22894 1/20 0.36
HDAC1 Q13547 2/20 0.33
HDAC2 Q92769 2/20 0.33
CA7 P43166 1/20 0.33
CTSS P25774 1/20 0.33
CTSK P43235 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
ZDHHC20 Q5W0Z9 1/20 0.32
ZDHHC2 Q9UIJ5 1/20 0.32
KCNQ4 P56696 1/20 0.32
KCNQ5 Q9NR82 1/20 0.32
HDAC3 O15379 1/20 0.32
NCOR2 Q9Y618 1/20 0.32

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
SCHEMBL4519025 0.87 CA14 (0.46) CA14HDAC1HDAC2HDAC6KCNQ4
SCHEMBL30129414 0.86 CA14 (0.41) CA14HDAC1HDAC2HDAC6KCNQ4
SCHEMBL27346056 0.84 CA14 (0.47) CA14HDAC1HDAC2HDAC6KCNQ4
SCHEMBL30942676 0.84 CA14 (0.40) CA14HDAC1HDAC2HDAC6KCNQ4
SCHEMBL25969918 0.84 CA14 (0.54) CA14CA12CA1CA9MMP1
SCHEMBL1207293 0.84 CA14 (0.39) CA14HDAC1HDAC2CTSSHDAC6
SCHEMBL1143116 0.83 SSTR4 (0.41) CA14HDAC1HDAC2HDAC6KCNQ4
SCHEMBL8644916 0.83 CA14 (0.40) CA14HDAC1HDAC2HDAC6KCNQ4
SCHEMBL8644921 0.83 CA14 (0.40) CA14HDAC1HDAC2HDAC6KCNQ4
SCHEMBL3530471 0.83 CA14 (0.36) CA14CA12CA1HDAC1HDAC2

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
US-6946483-B2 Aminoalkenylbenzoyl-benzofuran or benzothiophene, method for preparing same and compositions containing same SANOFI-AVENTIS (FR) 2005-09-20 US disclosed
EP-1315708-B1 AMINOALKENYLBENZOYL-BENZOFURAN OR BENZOTHIOPHENE DERIVATIVES, METHOD FOR PREPARING SAME AND COMPOSITIONS CONTAINING SAME SANOFI SYNTHELABO (FR) 2004-08-11 EP disclosed
US-20030187060-A1 Aminoalkenylbenzoyl-benzofuran or benzothiophene, method for preparing same and compositions containing same SANOFI (FR) 2003-10-02 US disclosed
EP-1315708-A1 AMINOALKENYLBENZOYL-BENZOFURAN OR BENZOTHIOPHENE DERIVATIVES, METHOD FOR PREPARING SAME AND COMPOSITIONS CONTAINING SAME SANOFI-SYNTHELABO (FR) 2003-06-04 EP disclosed
WO-2002016338-A1 AMINOALKENYLBENZOYL-BENZOFURAN OR BENZOTHIOPHENE DERIVATIVES, METHOD FOR PREPARING SAME AND COMPOSITIONS CONTAINING SAME SANOFI-SYNTHELABO (FR) 2002-02-28 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-20030187060-A1 Aminoalkenylbenzoyl-benzofuran or benzothiophene, method for preparing same and compositions containing same ABAT, TNNT2, BCAT2 CA14 4659/4885CA12 4356/4885CA1 4425/4885

“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.