SCHEMBL6749864

SCHEMBL6749864

CC(C)(C)OC(=O)N(N)C(=O)c1ccc(C(=O)[N+]2(O)C(=O)CCC2=O)cc1

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 2/20 0.32
HDAC3 O15379 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
NCOR2 Q9Y618 1/20 0.32
MT-CO2 P00403 1/20 0.32
ELANE P08246 1/20 0.30

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
SCHEMBL5737167 0.76 MAPT (0.42) HDAC3HDAC1HDAC2NCOR2ELANE
SCHEMBL4514786 0.74 ALDH1A1 (0.43) HDAC3HDAC1HDAC2NCOR2
SCHEMBL6529111 0.72 GPR119 (0.46) GPR119HDAC3HDAC1HDAC2NCOR2
SCHEMBL29067296 0.71 GPR119 (0.45) GPR119
SCHEMBL25436784 0.66 AAK1 (0.32)
SCHEMBL6650117 0.65 MPO (0.48)
SCHEMBL1179129 0.65 ACACB (0.32) GPR119
SCHEMBL29277587 0.65 ALDH1A1 (0.46) HDAC1
SCHEMBL1401073 0.65 PARP1 (0.46)
SCHEMBL1706932 0.64 HDAC6 (0.38) HDAC1HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6709679-B2 CONSISTING OF NATIVE OR THIOLATED TRANSFERRIN OR ALBUMIN OR OF POLYETHYLENE GLYCOL WITH ATLEAST ONE MERCAPTAN, HYDROXY OR AMINE GROUP AND CYTOSTATIC COMPOUNDS DERIVED THROUGH MALEINIMIDE OR HYDROXYSUCCINIMIDE ESTER COMPOUNDS KRATZ FELIX (DE) 2004-03-23 US disclosed
US-20020019343-A1 Antineoplastic conjugates of transferrin, albumin and polyethylene glycol KRATZ FELIX (DE) 2002-02-14 US disclosed
US-6310039-B1 TUMOR-INHIBITING CONJUGATES OF PROTEINS AND POLYMERS CONSISTING OF A SUITABLE CARRIER SYSTEM AND CYTOSTATIC COMPOUNDS KRATZ FELIX (DE) 2001-10-30 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-20020019343-A1 Antineoplastic conjugates of transferrin, albumin and polyethylene glycol TFRC, ALB, FOLR1 GPR119 3065/4885HDAC3 2145/4885HDAC1 2697/4885

“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.