SCHEMBL2090868

SCHEMBL2090868

COc1ccc([C@@H]([C]=O)N(C)C)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.47
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA12 O43570 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
AOC3 Q16853 2/20 0.42
ALDH1A1 P00352 3/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ACP3 P15309 1/20 0.40
KMT2A Q03164 2/20 0.39
GAA P10253 1/20 0.39
ACHE P22303 1/20 0.39
ALOX5 P09917 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38

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
SCHEMBL2088415 0.76 AOC3 (0.39) AOC3ALDH1A1TDP1KMT2AGAA
SCHEMBL1995041 0.76 ADRB2 (0.40) CA1CA2CA12CA7CA9
SCHEMBL6447670 0.75 CA1 (0.50) SLC2A1CA1CA2CA12CA7
SCHEMBL1997830 0.75 KDM4E (0.42) AOC3ALDH1A1TDP1KMT2ACYP2D6
SCHEMBL1036863 0.75 KDM4E (0.42) AOC3ALDH1A1TDP1KMT2ACYP2D6
SCHEMBL911096 0.74 CA1 (0.48) SLC2A1CA1CA2CA12CA7
SCHEMBL27782838 0.72 ALDH1A1 (0.48) SLC2A1CA1CA2CA12CA7
SCHEMBL1992891 0.72 CYP3A4 (0.39) ALDH1A1KMT2AGAACYP2C19MEN1
SCHEMBL8943724 0.72 CA1 (0.47) CA1CA2CA12CA7CA9
SCHEMBL7256572 0.72 SLC2A1 (0.42) SLC2A1AOC3ALDH1A1TSHRMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060270606-A1 Dolastatin 15 derivatives ABBOTT GMBH & CO., KG (DE) 2006-11-30 US claimed
US-20030153505-A1 Dolastatin 15 derivatives BASF AKTIENGESELLSCHAFT (DE) 2003-08-14 US claimed
US-6143721-A FOR TREATING CANCER IN MAMMALS BASF AKTIENGESELLSCHAFT (DE) 2000-11-07 US claimed
US-20130046077-A1 DOLASTATIN 15 DERIVATIVES ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2013-02-21 US disclosed
US-8163698-B2 Dolastatin 15 derivatives ABBOTT GMBH & CO. KG (DE) 2012-04-24 US disclosed
US-20100099843-A1 DOLASTATIN 15 DERIVATIVES ABBOTT GMBH & CO. KG (DE) 2010-04-22 US disclosed
US-7662786-B2 oligopeptides; anticarcinogenic agent; good water solubility and cost effective; , B, D, E, F, G and K are alpha -amino acid residues, and s and r are each, independently, 0 or 1. L is a monovalent radical, such as,an amino group, an N-substituted amino group, a beta -hydroxylamino group, an alkoxy group ABBOTT GMBH & CO. KG (DE) 2010-02-16 US disclosed
US-20060270606-A1 Dolastatin 15 derivatives ABBOTT GMBH & CO., KG (DE) 2006-11-30 US disclosed
US-7084110-B2 Anticarcinogenic agents for treating cancer; pentapeptides, hexapeptides, heptapeptides, oligopeptides ABBOTT GMBH & CO., KG (DE) 2006-08-01 US disclosed
US-20030153505-A1 Dolastatin 15 derivatives BASF AKTIENGESELLSCHAFT (DE) 2003-08-14 US disclosed
US-6458765-B1 POLYPEPTIDES AS ANTICANCER AGENTS AND AGAINST CELL PROLIFERATION BASF AKTIENGESELLSCHAFT (DE) 2002-10-01 US disclosed
US-6143721-A FOR TREATING CANCER IN MAMMALS BASF AKTIENGESELLSCHAFT (DE) 2000-11-07 US disclosed
EP-0991658-A1 DOLASTATIN 15 DERIVATIVES BASF AKTIENGESELLSCHAFT (DE) 2000-04-12 EP disclosed
WO-1999003879-A1 DOLASTATIN 15 DERIVATIVES BASF AKTIENGESELLSCHAFT (DE) 1999-01-28 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 (4 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-20100099843-A1 DOLASTATIN 15 DERIVATIVES DDOST, DBI, DAO SLC2A1 1076/4885CA1 1267/4885CA2 337/4885
US-20030153505-A1 Dolastatin 15 derivatives DBI, DDOST, BDKRB1 SLC2A1 931/4885CA1 1354/4885CA2 421/4885
US-20060270606-A1 Dolastatin 15 derivatives DDOST, DBI, DAO SLC2A1 1076/4885CA1 1267/4885CA2 337/4885
US-20130046077-A1 DOLASTATIN 15 DERIVATIVES DDOST, DBI, DAO SLC2A1 1076/4885CA1 1267/4885CA2 337/4885

“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.