SCHEMBL694959

SCHEMBL694959

C=CCN[C@@H](C(=O)OC)c1ccc(Cl)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.47
HPGD P15428 3/20 0.44
HSD17B10 Q99714 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
CNR2 P34972 1/20 0.41
UTS2R Q9UKP6 3/20 0.39
PKM P14618 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC5 Q9UQL6 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39

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
SCHEMBL694960 1.00 L3MBTL1 (0.47) L3MBTL1HPGDHSD17B10MEN1KMT2A
SCHEMBL1968316 0.87 ESR1 (0.48) MEN1KMT2APKMNPC1RAB9A
SCHEMBL696089 0.83 HPGD (0.43) L3MBTL1HPGDHSD17B10MEN1KMT2A
SCHEMBL696088 0.83 HPGD (0.43) L3MBTL1HPGDHSD17B10MEN1KMT2A
SCHEMBL21777362 0.79 MEN1 (0.58) L3MBTL1MEN1KMT2ACNR2RAB9A
SCHEMBL21788884 0.74 MEN1 (0.53) L3MBTL1MEN1KMT2ACNR2NPC1
SCHEMBL1978245 0.73 HDAC4 (0.57) L3MBTL1KMT2ACNR2HDAC4HDAC7
SCHEMBL18547195 0.73 HDAC4 (0.57) L3MBTL1KMT2ACNR2HDAC4HDAC7
SCHEMBL24191770 0.73 L3MBTL1 (0.49) L3MBTL1HPGDHDAC4HDAC7HDAC5
SCHEMBL10572282 0.72 KMT2A (0.70) MEN1KMT2ASMN1; SMN2POLBCYP1A2

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-2421826-B1 PROLINE DERIVATIVES AS CATHEPSIN INHIBITORS HOFFMANN LA ROCHE (CH) 2013-10-23 EP disclosed
US-8163793-B2 Proline derivatives HOFFMAN-LA ROCHE INC. (US) 2012-04-24 US disclosed
EP-2421826-A1 PROLINE DERIVATIVES AS CATHEPSIN INHIBITORS F. Hoffmann-La Roche AG (CH) 2012-02-29 EP disclosed
WO-2010121918-A1 PROLINE DERIVATIVES AS CATHEPSIN INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2010-10-28 WO disclosed
US-20100267722-A1 NOVEL PROLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2010-10-21 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-20100267722-A1 NOVEL PROLINE DERIVATIVES PRAP1, PRR12, SLC6A7 L3MBTL1 2744/4885HPGD 346/4885HSD17B10 1826/4885

“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.