SCHEMBL3744052

SCHEMBL3744052

NC(=O)C(N)CC(O)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OR51E2 Q9H255 1/20 0.42
SLC7A5 Q01650 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
ALOX15 P16050 1/20 0.39
BLM P54132 1/20 0.39
PMP22 Q01453 1/20 0.39
KMT2A Q03164 1/20 0.39
PTGS1 P23219 1/20 0.39
SLC7A11 Q9UPY5 1/20 0.39
SLC1A1 P43005 4/20 0.38
TET2 Q6N021 5/20 0.37
KDM4A O75164 2/20 0.37
KDM4C Q9H3R0 2/20 0.37
KDM2A Q9Y2K7 2/20 0.37
TET3 O43151 1/20 0.37
SLC1A3 P43003 4/20 0.37
SLC1A2 P43004 4/20 0.37
GRM8 O00222 1/20 0.36
GRM6 O15303 1/20 0.36
GRIN2D O15399 1/20 0.36

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
SCHEMBL393346 0.84 SLC7A5 (0.56) OR51E2SLC7A5PTGS1SLC7A11SLC1A1
SCHEMBL5819946 0.84 SLC7A5 (0.56) OR51E2SLC7A5PTGS1SLC7A11SLC1A1
SCHEMBL5823952 0.84 SLC7A5 (0.56) OR51E2SLC7A5PTGS1SLC7A11SLC1A1
SCHEMBL13753646 0.84 SLC7A5 (0.56) OR51E2SLC7A5PTGS1SLC7A11SLC1A1
SCHEMBL13746293 0.84 SLC7A5 (0.56) OR51E2SLC7A5PTGS1SLC7A11SLC1A1
SCHEMBL196983 0.84 SLC7A5 (0.56) OR51E2SLC7A5PTGS1SLC7A11SLC1A1
SCHEMBL305904 0.84 SLC7A5 (0.56) OR51E2SLC7A5PTGS1SLC7A11SLC1A1
SCHEMBL1607862 0.84 SLC7A5 (0.56) OR51E2SLC7A5PTGS1SLC7A11SLC1A1
SCHEMBL4254400 0.84 SLC7A5 (0.56) OR51E2SLC7A5PTGS1SLC7A11SLC1A1
SCHEMBL4947418 0.84 SLC7A5 (0.56) OR51E2SLC7A5PTGS1SLC7A11SLC1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7834033-B2 Methods for treating cancer using 3-[1,3dioxo-4-benzamidoisoindolin-2-yl]-2,6-dioxo-5-hydroxypiperidine CELGENE CORPORATION (US) 2010-11-16 US disclosed
EP-1733726-B1 Pharmaceutically active isoindoline derivatives CELGENE CORP (US) 2009-06-03 EP disclosed
EP-1341537-B1 PHARMACEUTICALLY ACTIVE ISOINDOLINE DERIVATIVES CELGENE CORP (US) 2007-01-24 EP disclosed
EP-1733726-A1 Pharmaceutically active isoindoline derivatives Celgene Corporation (US) 2006-12-20 EP disclosed
US-20060069126-A1 Pharmaceutically active isoindoline derivatives CELGENE CORPORATION 2006-03-30 US disclosed
US-7005438-B2 Pharmaceutically active isoindoline derivatives CELGENE CORPORATION (US) 2006-02-28 US disclosed
US-6762195-B2 TREATING DISEASES MEDIATED BY TUMOR NECROSIS FACTOR; INHIBIT ANGIOGENESIS AND TREATMENT OF CANCER, INFLAMMATORY, AND AUTOIMMUNE DISEASES CELGENE CORPORATION 2004-07-13 US disclosed
US-20040122052-A1 Pharmaceutically active isoindoline derivatives CELGENE CORPORATION 2004-06-24 US disclosed
EP-1341537-A4 PHARMACEUTICALLY ACTIVE ISOINDOLINE DERIVATIVES CELGENE CORP (US) 2004-01-28 EP disclosed
EP-1341537-A2 PHARMACEUTICALLY ACTIVE ISOINDOLINE DERIVATIVES CELGENE CORPORATION (US) 2003-09-10 EP disclosed
US-20030069428-A1 Pharmaceutically active isoindoline derivatives MULLER GEORGE 2003-04-10 US disclosed
WO-2002094180-A2 PHARMACEUTICALLY ACTIVE ISOINDOLINE DERIVATIVES CELGENE CORPORATION (US) 2002-11-28 WO disclosed
US-6458810-B1 TREATMENT OF DISEASE STATES MEDIATED BY, TNF.ALPHA.. A TYPICAL EMBODIMENT IS TUMOR NECROSIS FACTOR FOR CANCER TREATMENT CELGENE CORPORATION 2002-10-01 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-20040122052-A1 Pharmaceutically active isoindoline derivatives TNF, RELA, NFKBIA OR51E2 947/4885SLC7A5 4481/4885SMN1; SMN2 1759/4885
US-20060069126-A1 Pharmaceutically active isoindoline derivatives TNF, RELA, NFKBIA OR51E2 1271/4885SLC7A5 4376/4885SMN1; SMN2 1474/4885
US-20030069428-A1 Pharmaceutically active isoindoline derivatives TNF, RELA, NFKBIA OR51E2 947/4885SLC7A5 4481/4885SMN1; SMN2 1759/4885

“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.