SCHEMBL2485290

SCHEMBL2485290

COC(=O)C(O)C(CC(C)C)NCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
PSMB5 P28074 2/20 0.47
TRPM8 Q7Z2W7 1/20 0.47
ATM Q13315 1/20 0.44
PSMB1 P20618 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MMP8 P22894 1/20 0.43
CA12 O43570 1/20 0.43
CA2 P00918 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43
ANPEP P15144 2/20 0.43
LTA4H P09960 1/20 0.42
BIRC2 Q13490 1/20 0.42
PSMB8 P28062 1/20 0.42

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
SCHEMBL20442882 0.82 MAPT (0.54) MAPTL3MBTL1MEN1KMT2ATRPM8
SCHEMBL6129757 0.81 ATM (0.54) MAPTL3MBTL1MEN1KMT2APSMB5
SCHEMBL7365655 0.81 ATM (0.54) MAPTL3MBTL1MEN1KMT2APSMB5
SCHEMBL19975277 0.81 ATM (0.54) MAPTL3MBTL1MEN1KMT2APSMB5
SCHEMBL10062613 0.80 CTSK (0.58) TRPM8ATMPSMB1
Hydrochloric Acid SCHEMBL28565967 0.79 ATM (0.52) MAPTL3MBTL1MEN1KMT2APSMB5
Hydrochloric Acid SCHEMBL28565964 0.79 ATM (0.52) MAPTL3MBTL1MEN1KMT2APSMB5
SCHEMBL31003034 0.78 PSMB5 (0.48) MAPTL3MBTL1MEN1KMT2APSMB5
SCHEMBL20012289 0.77 ATM (0.50) MAPTL3MBTL1MEN1KMT2APSMB5
SCHEMBL914510 0.77 MAPT (0.67) MAPTL3MBTL1MEN1KMT2ATRPM8

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-8624051-B2 Process for the preparation of isoserine derivatives INDENA S.P.A. (IT) 2014-01-07 US disclosed
US-20130090493-A1 PROCESS FOR THE PREPARATION OF ISOSERINE DERIVATIVES INDENA S.P.A (IT) 2013-04-11 US disclosed
EP-2558439-A1 A PROCESS FOR THE PREPARATION OF ISOSERINE DERIVATIVES Indena S.p.A. (IT) 2013-02-20 EP disclosed
EP-2380871-B1 A process for the preparation of isoserine derivatives INDENA SPA (IT) 2013-01-09 EP disclosed
EP-2380871-A1 A process for the preparation of isoserine derivatives Indena S.p.A. (IT) 2011-10-26 EP disclosed
WO-2011128353-A1 A PROCESS FOR THE PREPARATION OF ISOSERINE DERIVATIVES INDENA S.P.A. (IT) 2011-10-20 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-20130090493-A1 PROCESS FOR THE PREPARATION OF ISOSERINE DERIVATIVES ICMT, PGLS, PCMT1 MAPT 3377/4885L3MBTL1 4457/4885MEN1 1162/4885

“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.