SCHEMBL4778728

SCHEMBL4778728

O=C1CCC(NC(=O)c2ccccc2C(=O)O)C(=O)N1

nearest known ligand 0.74

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 19/20 0.74
DDB1 Q16531 4/20 0.72
ALDH1A1 P00352 1/20 0.62
IKZF3 Q9UKT9 1/20 0.58
BRD4 O60885 2/20 0.57

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
SCHEMBL16120061 0.88 CRBN (0.72) CRBNDDB1IKZF3BRD4
SCHEMBL5496321 0.88 CRBN (0.76) CRBNDDB1IKZF3BRD4
SCHEMBL4778758 0.87 CRBN (0.66) CRBNDDB1IKZF3BRD4
SCHEMBL20811963 0.86 CRBN (0.74) CRBNDDB1ALDH1A1IKZF3BRD4
SCHEMBL4781353 0.86 CRBN (0.77) CRBNDDB1ALDH1A1IKZF3BRD4
SCHEMBL19359322 0.85 CRBN (0.69) CRBNDDB1IKZF3BRD4
SCHEMBL23267776 0.85 CRBN (0.72) CRBNDDB1IKZF3BRD4
SCHEMBL20812183 0.85 CRBN (0.72) CRBNDDB1IKZF3BRD4
SCHEMBL17169740 0.85 CRBN (0.72) CRBNDDB1IKZF3BRD4
SCHEMBL20811955 0.85 CRBN (0.72) CRBNDDB1ALDH1A1IKZF3BRD4

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-2017081701-A1 AN IMPROVED PROCESS FOR THE PREPARATION OF THALIDOMIDE NATCO PHARMA LTD (IN) 2017-05-18 WO disclosed
US-20120142734-A1 METHODS FOR TREATING TUMORS WITH THALIDOMIDE THE CHILDREN'S MEDICAL CENTER CORPORATION 2012-06-07 US disclosed
US-8143283-B1 Methods for treating blood-born tumors with thalidomide THE CHILDREN'S MEDICAL CENTER CORPORATION (US) 2012-03-27 US disclosed
US-7723361-B2 Methods for inhibiting undesired angiogenesis in patients having tumors with thalidomide CELGENE CORPORATION (US) 2010-05-25 US disclosed
US-20080167272-A1 Thalidomide metabolites and methods of use AUCKLAND UNISERVICES LIMITED (NZ) 2008-07-10 US disclosed
US-20080167272-A1 Thalidomide metabolites and methods of use AUCKLAND UNISERVICES LIMITED (NZ) 2008-07-10 US disclosed
US-20080167272-A1 Thalidomide metabolites and methods of use AUCKLAND UNISERVICES LIMITED (NZ) 2008-07-10 US disclosed
WO-2008007979-A1 (2,6-DIOXO-3-PIPERINYL)AMIDOBENZOIC IMMUNOMODULATORY AND ANTI-CANCER DERIVATIVES AUCKLAND UNISERVICES LIMITED (NZ) 2008-01-17 WO disclosed
US-20070105903-A1 Synthesis and anti-tumor activity of nitrogen substituted thalidomide analogs CELGENE CORPORATION 2007-05-10 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 (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-20080167272-A1 Thalidomide metabolites and methods of use TPMT, MALT1, FAP CRBN 166/4885DDB1 653/4885ALDH1A1 202/4885
US-20070105903-A1 Synthesis and anti-tumor activity of nitrogen substituted thalidomide analogs VEGFA, FLT4, FLT1 CRBN 138/4885DDB1 499/4885ALDH1A1 2713/4885
US-20120142734-A1 METHODS FOR TREATING TUMORS WITH THALIDOMIDE PGF, FLT4, HIF1AN CRBN 138/4885DDB1 1184/4885ALDH1A1 231/4885

“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.