SCHEMBL3053308

SCHEMBL3053308

CCOC(=O)[C@@H]1CC([Se]c2ccccc2)CN1C(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
HTRA1 Q92743 1/20 0.41
ALDH1A1 P00352 1/20 0.39
CACNA1A O00555 1/20 0.39
CACNA2D1 P54289 1/20 0.39
CACNB1 Q02641 1/20 0.39
CYP1A2 P05177 1/20 0.38
POLB P06746 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C19 P33261 1/20 0.38
NR1H2 P55055 4/20 0.38
NR1H3 Q13133 3/20 0.38
PIN1 Q13526 1/20 0.38
SRC P12931 4/20 0.38
NR1D1 P20393 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
UCHL1 P09936 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
SCHEMBL6787235 1.00 MEN1 (0.42) MEN1KMT2AHTRA1ALDH1A1CACNA1A
SCHEMBL3053306 1.00 MEN1 (0.42) MEN1KMT2AHTRA1ALDH1A1CACNA1A
SCHEMBL29548365 0.90 HTRA1 (0.44) HTRA1CYP1A2POLBCYP3A4CYP2C19
SCHEMBL6787441 0.89 FKBP1A (0.43) HTRA1POLBNR1H2NR1H3
SCHEMBL29548830 0.87 NR1H2 (0.46) HTRA1CYP1A2POLBCYP3A4CYP2C19
SCHEMBL30170293 0.87 NR1H2 (0.46) HTRA1CYP1A2POLBCYP3A4CYP2C19
SCHEMBL2229858 0.86 POLB (0.46) POLBL3MBTL1
SCHEMBL2229857 0.86 POLB (0.46) POLBL3MBTL1
SCHEMBL28721184 0.83 HTRA1 (0.54) MEN1KMT2AHTRA1ALDH1A1CACNA1A
SCHEMBL12589813 0.80 KMT2A (0.44) MEN1KMT2AHTRA1ALDH1A1CACNA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7651997-B2 Deoxo-proline-containing tamandarin and didemnin analogs, dehydro-proline-containing tamandarin and didemnin analogs, and methods of making and using them THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2010-01-26 US disclosed
US-20070129289-A1 Deoxo-proline-containing tamandarin and didemnin analogs, dehydro-proline-containing tamandarin and didemnin analogs, and methods of making and using them THE TRUSEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2007-06-07 US disclosed
EP-1276491-B9 TAMANDARIN AND DIDEMNIN ANALOGS AND METHODS OF MAKING AND USING THEM UNIV PENNSYLVANIA (US) 2007-02-28 EP disclosed
EP-1276491-B1 TAMANDARIN AND DIDEMNIN ANALOGS AND METHODS OF MAKING AND USING THEM UNIV PENNSYLVANIA (US) 2006-09-20 EP disclosed
US-7064105-B2 Deoxo-proline-containing tamandarin and didemnin analogs, dehydro-proline-containing tamandarin and didemnin analogs, and methods of making and using them THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2006-06-20 US disclosed
EP-1276491-A4 TAMANDARIN AND DIDEMNIN ANALOGS AND METHODS OF MAKING AND USING THEM UNIV PENNSYLVANIA (US) 2004-08-25 EP disclosed
EP-1276491-A1 TAMANDARIN AND DIDEMNIN ANALOGS AND METHODS OF MAKING AND USING THEM THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2003-01-22 EP disclosed
WO-2001076616-A1 TAMANDARIN AND DIDEMNIN ANALOGS AND METHODS OF MAKING AND USING THEM THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2001-10-18 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-20070129289-A1 Deoxo-proline-containing tamandarin and didemnin analogs, dehydro-proline-containing tamandarin and didemnin analogs, and methods of making and using them PRAP1, PTMA, DHPS MEN1 2472/4885KMT2A 3794/4885HTRA1 2023/4885

“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.