SCHEMBL1305952

SCHEMBL1305952

COC(=O)/C(=C\N(c1ccccc1)c1ccccc1)NC(=O)OCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.44
CA12 O43570 2/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA9 Q16790 2/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
ALDH1A1 P00352 2/20 0.42
LMNA P02545 2/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
TRPM8 Q7Z2W7 1/20 0.41
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
POLB P06746 1/20 0.40
HTT P42858 1/20 0.40
CTSL P07711 2/20 0.40
CTSB P07858 2/20 0.40
CTSS P25774 2/20 0.40
MIF P14174 1/20 0.40

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
SCHEMBL12112861 1.00 SMN1; SMN2 (0.44) SMN1; SMN2CA12CA1CA2CA9
SCHEMBL1305955 1.00 SMN1; SMN2 (0.44) SMN1; SMN2CA12CA1CA2CA9
SCHEMBL1306887 0.87 CA12 (0.46) SMN1; SMN2CA12CA1CA2CA9
SCHEMBL1306885 0.87 CA12 (0.46) SMN1; SMN2CA12CA1CA2CA9
SCHEMBL10267296 0.87 CA12 (0.46) SMN1; SMN2CA12CA1CA2CA9
SCHEMBL8106690 0.84 CA12 (0.50) SMN1; SMN2CA12CA1CA2CA9
SCHEMBL16796406 0.82 CA12 (0.49) SMN1; SMN2CA12CA1CA2CA9
SCHEMBL16519665 0.82 CA12 (0.49) SMN1; SMN2CA12CA1CA2CA9
SCHEMBL8434086 0.81 CA12 (0.48) SMN1; SMN2CA12CA1CA2CA9
SCHEMBL8611221 0.81 LMNA (0.49) SMN1; SMN2CA12CA1CA2CA9

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
US-8053590-B2 Method for producing enantiomeric form of 2,3-diaminopropionic acid derivatives SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2011-11-08 US disclosed
US-20090203918-A1 METHOD FOR PRODUCING ENANTIOMERIC FORM OF 2,3-DIAMINOPROPIONIC ACID DERIVATIVES SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2009-08-13 US disclosed
US-7514578-B2 Method for producing enantiomeric form of 2,3-diaminopropionic acid derivatives SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2009-04-07 US disclosed
US-20070238778-A1 METHOD FOR PRODUCING ENANTIOMERIC FORM OF 2,3-DIAMINOPROPIONIC ACID DERIVATIVES SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-10-11 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 (2 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-20090203918-A1 METHOD FOR PRODUCING ENANTIOMERIC FORM OF 2,3-DIAMINOPROPIONIC ACID DERIVATIVES DDC, ADM2, MTHFD2 SMN1; SMN2 3293/4885CA12 198/4885CA1 61/4885
US-20070238778-A1 METHOD FOR PRODUCING ENANTIOMERIC FORM OF 2,3-DIAMINOPROPIONIC ACID DERIVATIVES DDC, DAO, ADM2 SMN1; SMN2 3638/4885CA12 128/4885CA1 58/4885

“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.