SCHEMBL2496331

SCHEMBL2496331

COc1ccc(COC(=O)[C@@H]2CCC[C@@H]2NC(=O)OC(C)(C)C)cc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 4/20 0.51
TAS1R3 Q7RTX0 1/20 0.46
TAS1R1 Q7RTX1 1/20 0.46
CPB1 P15086 1/20 0.45
HTT P42858 2/20 0.42
PKM P14618 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ALDH1A1 P00352 1/20 0.42
EPHX2 P34913 1/20 0.41
PDE4B Q07343 1/20 0.41
FABP7 O15540 1/20 0.40
FABP5 Q01469 1/20 0.40
KDM1A O60341 1/20 0.40
CCR1 P32246 1/20 0.40
KMT2A Q03164 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CTSB P07858 1/20 0.39
CTSS P25774 1/20 0.39
CTSK P43235 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
SCHEMBL24515752 0.88 CPB1 (0.56) CPB1ALDH1A1PDE4BKDM1AKMT2A
SCHEMBL24515749 0.88 CPB1 (0.56) CPB1ALDH1A1PDE4BKDM1AKMT2A
SCHEMBL10137650 0.85 CPB1 (0.56) CPB1ALDH1A1PDE4BKMT2AL3MBTL1
SCHEMBL12873056 0.85 CPB1 (0.56) CPB1ALDH1A1PDE4BKMT2AL3MBTL1
SCHEMBL2840917 0.79 KLK5 (0.59) CACNA1B
SCHEMBL2500837 0.78 FABP7 (0.47) HTTPKMSMN1; SMN2ALDH1A1EPHX2
SCHEMBL12988282 0.77 KMT2A (0.45) TAS1R3TAS1R1ALDH1A1CCR1KMT2A
SCHEMBL15420524 0.77 KMT2A (0.45) TAS1R3TAS1R1ALDH1A1CCR1KMT2A
SCHEMBL12988279 0.77 KMT2A (0.45) TAS1R3TAS1R1ALDH1A1CCR1KMT2A
SCHEMBL16654131 0.77 CACNA1B (0.45) CACNA1BHTTPKMSMN1; SMN2ALDH1A1

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-8030489-B2 Ornithine derivative ASTELLAS PHARMA INC. (JP) 2011-10-04 US disclosed
US-8030489-B2 Ornithine derivative ASTELLAS PHARMA INC. (JP) 2011-10-04 US disclosed
US-8030489-B2 Ornithine derivative ASTELLAS PHARMA INC. (JP) 2011-10-04 US disclosed
US-20100216803-A1 ORNITHINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2010-08-26 US disclosed
US-20100216803-A1 ORNITHINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2010-08-26 US disclosed
EP-2141147-A1 ORNITHINE DERIVATIVE Astellas Pharma Inc. (JP) 2010-01-06 EP 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-20100216803-A1 ORNITHINE DERIVATIVE PTGER4, OXER1, ODC1 CACNA1B 4524/4885TAS1R3 3000/4885TAS1R1 3583/4885

“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.