SCHEMBL6875880

SCHEMBL6875880

CCCC[C@H](N)[C@H](O)C(=O)NC1CC1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 1/20 0.49
METAP2 P50579 4/20 0.44
SIGMAR1 Q99720 1/20 0.44
SMYD3 Q9H7B4 1/20 0.41
DPP7 Q9UHL4 3/20 0.39
SLC15A1 P46059 1/20 0.39
LMNA P02545 1/20 0.38
BLM P54132 1/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
KMT2A Q03164 1/20 0.37
EPHX1 P07099 3/20 0.36
DPP8 Q6V1X1 2/20 0.36
DPP4 P27487 1/20 0.36
DPP9 Q86TI2 1/20 0.36

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
SCHEMBL3411145 1.00 METAP1 (0.49) METAP1METAP2SIGMAR1SMYD3DPP7
SCHEMBL6876305 1.00 METAP1 (0.49) METAP1METAP2SIGMAR1SMYD3DPP7
SCHEMBL6876886 1.00 METAP1 (0.49) METAP1METAP2SIGMAR1SMYD3DPP7
Hydrochloric Acid SCHEMBL742741 0.98 METAP1 (0.48) METAP1METAP2SIGMAR1SMYD3DPP7
Hydrochloric Acid SCHEMBL742742 0.98 METAP1 (0.48) METAP1METAP2SIGMAR1SMYD3DPP7
SCHEMBL8006760 0.94 SIGMAR1 (0.51) METAP1METAP2SIGMAR1EPHX1
SCHEMBL8492486 0.94 SIGMAR1 (0.51) METAP1METAP2SIGMAR1EPHX1
SCHEMBL12829172 0.92 SIGMAR1 (0.53) METAP2SIGMAR1EPHX1
SCHEMBL329101 0.90 SMYD3 (0.43) METAP1METAP2SIGMAR1SMYD3LMNA
SCHEMBL3045972 0.90 SMYD3 (0.43) METAP1METAP2SIGMAR1SMYD3LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2459525-B1 ENANTIO- AND STEREO-SPECIFIC SYNTHESES OF -AMINO- - HYDROXY AMIDES MERCK SHARP & DOHME (US) 2017-03-01 EP disclosed
US-8680294-B2 Enantio- and stereo specific synthesis of β-amino-α-hydroxy amides MERCK SHARP & DOHME CORP. (US) 2014-03-25 US disclosed
US-20120178942-A1 ENANTIO- AND STEREO-SPECIFIC SYNTHESES OF BETA-AMINO-ALPHA- HYDROXY AMIDES MERCK SHARP & DOHME LLC 2012-07-12 US disclosed
WO-2011014494-A1 ENANTIO- AND STEREO-SPECIFIC SYNTHESES OF β-AMINO-α- HYDROXY AMIDES SCHERING CORPORATION (US) 2011-02-03 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-20120178942-A1 ENANTIO- AND STEREO-SPECIFIC SYNTHESES OF BETA-AMINO-ALPHA- HYDROXY AMIDES CYP8B1, DAO, ASPH METAP1 506/4885METAP2 1129/4885SIGMAR1 617/4885

“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.