SCHEMBL3440469

SCHEMBL3440469

CN(C)[C@H](C(=O)O)C(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
MAPT P10636 1/20 0.33
PTGS1 P23219 1/20 0.33
SLC7A5 Q01650 1/20 0.32
TP53 P04637 1/20 0.32
TSHR P16473 1/20 0.32

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
SCHEMBL29230313 1.00 ALDH1A1 (0.33) ALDH1A1MAPTPTGS1SLC7A5TP53
SCHEMBL29230314 1.00 ALDH1A1 (0.33) ALDH1A1MAPTPTGS1SLC7A5TP53
Hydrochloric Acid SCHEMBL29230339 0.97 ALDH1A1 (0.32) ALDH1A1MAPTPTGS1SLC7A5TP53
Hydrochloric Acid SCHEMBL29230337 0.97 ALDH1A1 (0.32) ALDH1A1MAPTPTGS1SLC7A5TP53
SCHEMBL4745235 0.79 ALDH1A1 (0.31) ALDH1A1MAPTPTGS1
SCHEMBL13661686 0.78
SCHEMBL26606619 0.78
SCHEMBL8703006 0.77 TP53 (0.33) ALDH1A1MAPTPTGS1SLC7A5TP53
SCHEMBL737459 0.76 TDP1 (0.38)
SCHEMBL20811652 0.76 ALDH1A1 (0.32) ALDH1A1MAPTPTGS1SLC7A5TP53

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11795195-B2 Antibody-drug conjugates including hemiasterlin derivative Sumitomo Pharma Co., Ltd. (JP) 2023-10-24 US disclosed
US-7807779-B2 Antineoplastic peptides ABBOTT GMBH & CO. KG (DE) 2010-10-05 US disclosed
US-20080234205-A1 Antineoplastic peptides ABBOTT GMBH & CO. KG (DE) 2008-09-25 US disclosed
US-7368528-B2 Antineoplastic peptides ABBOTT GMBH & CO. KG (DE) 2008-05-06 US disclosed
US-20060009392-A1 Salt with physiologically tolerated acid; resistant to enzymatic degradation; oral administration ABBOTT GMBH & CO., KG. (US) 2006-01-12 US disclosed
EP-1593686-A1 Antineoplastic peptides Abbott GmbH & Co. KG (DE) 2005-11-09 EP disclosed
EP-0866800-B1 ANTINEOPLASTIC PEPTIDES ABBOTT GMBH & CO KG (DE) 2004-09-22 EP disclosed
EP-0981358-B1 DOLASTATIN-15 DERIVATIVES IN COMBINATION WITH TAXANES BASF AG (DE) 2003-05-28 EP disclosed
EP-0871656-B1 DOLASTATIN DERIVATIVES, THEIR PREPARATION AND USE ABBOTT GMBH & CO KG (DE) 2002-09-25 EP disclosed
EP-0832104-B1 DOLASTATIN DERIVATIVES, THEIR PREPARATION AND USE ABBOTT GMBH & CO KG (DE) 2002-09-04 EP disclosed
EP-0871656-A1 NOVEL DOLASTATIN DERIVATIVES, THEIR PREPARATION AND USE BASF AKTIENGESELLSCHAFT (DE) 1998-10-21 EP disclosed
EP-0866800-A2 ANTINEOPLASTIC PEPTIDES BASF AKTIENGESELLSCHAFT (DE) 1998-09-30 EP disclosed
WO-1998040092-A1 DOLASTATIN-15 DERIVATIVES IN COMBINATION WITH TAXANES BASF AKTIENGESELLSCHAFT (DE) 1998-09-17 WO disclosed
EP-0642530-B1 DERIVATIVES OF DOLASTATIN BASF AG (DE) 1998-08-12 EP disclosed
EP-0842190-A1 PROCESS FOR PRODUCING DOLASTATIN 15 AND INTERMEDIATES THEREOF BASF AKTIENGESELLSCHAFT (DE) 1998-05-20 EP disclosed
US-5741892-A Pentapeptides as antitumor agents BASF AKTIENGESELLSCHAFT (DE) 1998-04-21 US disclosed
WO-1998004581-A1 DOLASTATIN PENTAPEPTIDE DERIVATIVES AND THEIR USE AS ANTITUMOR AGENTS BASF AKTIENGESELLSCHAFT (DE) 1998-02-05 WO disclosed
WO-1997022621-A2 ANTINEOPLASTIC PEPTIDES BASF AKTIENGESELLSCHAFT (DE) 1997-06-26 WO disclosed
WO-1997005162-A1 PROCESS FOR PRODUCING DOLASTATIN 15 AND INTERMEDIATES THEREOF BASF AKTIENGESELLSCHAFT (DE) 1997-02-13 WO disclosed
WO-1996040752-A1 NOVEL DOLASTATIN DERIVATIVES, THEIR PREPARATION AND USE BASF AKTIENGESELLSCHAFT (DE) 1996-12-19 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 (3 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-20080234205-A1 Antineoplastic peptides BCL2A1, ETF1, BAK1 ALDH1A1 4381/4885MAPT 4864/4885PTGS1 1831/4885
US-11795195-B2 Antibody-drug conjugates including hemiasterlin derivative HSD3B2, HSD3B1, HSD11B2 ALDH1A1 1287/4885MAPT 2094/4885PTGS1 3143/4885
US-20060009392-A1 Salt with physiologically tolerated acid; resistant to enzymatic degradation; oral administration CTRB1, CTRB2, BCKDK ALDH1A1 2715/4885MAPT 4865/4885PTGS1 1501/4885

“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.