SCHEMBL1728513

SCHEMBL1728513

C=CCC1NC(=O)OC1=O

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.39
PRSS1 P07477 2/20 0.33
CTRC Q99895 2/20 0.33
F2 P00734 1/20 0.33

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
SCHEMBL9886463 1.00 ALDH1A1 (0.39) ALDH1A1PRSS1CTRCF2
SCHEMBL11957439 0.81
SCHEMBL4405125 0.73
SCHEMBL762450 0.71
SCHEMBL1643317 0.71
SCHEMBL13498357 0.71
SCHEMBL9516054 0.71
SCHEMBL8665253 0.71
SCHEMBL17224585 0.71
SCHEMBL11957432 0.71 NPSR1 (0.35) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019238090-A1 STRONG BASE-INITIATED N-CARBOXYANHYDRIDE RAPID RING-OPENING POLYMERISATION METHOD 华东理工大学 2019-12-19 WO disclosed
US-20120130020-A1 Poly(Ester Amide)s and Poly(Ester Ether Amide)s With Pendant Crosslinkable Functional Groups CORNELL UNIVERSITY (US) 2012-05-24 US disclosed
US-20120130020-A1 Poly(Ester Amide)s and Poly(Ester Ether Amide)s With Pendant Crosslinkable Functional Groups CORNELL UNIVERSITY (US) 2012-05-24 US disclosed
EP-1913002-B9 METHOD OF ACYLATING MAYTANSINOL WITH CHIRAL AMINO ACIDS MILLENNIUM PHARM INC (US) 2012-04-25 EP disclosed
EP-1913002-B1 METHOD OF ACYLATING MAYTANSINOL WITH CHIRAL AMINO ACIDS MILLENNIUM PHARM INC (US) 2011-11-30 EP disclosed
US-7598375-B2 Method of acylating maytansinol with chiral amino acids MILLENIUM PHARMACEUTICALS, INC. (US) 2009-10-06 US disclosed
EP-1913002-A2 METHOD OF ACYLATING MAYTANSINOL WITH CHIRAL AMINO ACIDS MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-04-23 EP disclosed
WO-2007021674-A2 METHOD OF ACYLATING MAYTANSINOL WITH CHIRAL AMINO ACIDS MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-02-22 WO disclosed
US-20070037972-A1 For making maytansinoids with chiral amino acid side chains; maytansinoids may be conjugated to cell-binding agents such as antibodies and are useful therapeutics, especially for treatment of cancer; high yielding methods that avoid or reduce epimerization in coupling of side chain linker MILLENNIUM PHARMACEUTICALS, INC. 2007-02-15 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 (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-20070037972-A1 For making maytansinoids with chiral amino acid side chains; maytansinoids may be conjugated to cell-binding agents such as antibodies and are useful therapeutics, especially for treatment of cancer; high yielding methods that avoid or reduce epimerization in coupling of side chain linker MRTO4, SLC43A1, SLC7A1 ALDH1A1 2721/4885PRSS1 3742/4885CTRC 4408/4885

“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.