SCHEMBL7749984

SCHEMBL7749984

NC(=O)c1cccc2c1C(=O)N([C@@H](CCC(=O)O)C(N)=O)C2=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.56
POLB P06746 3/20 0.56
KDM4E B2RXH2 1/20 0.56
TP53 P04637 1/20 0.56
GLA P06280 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2D6 P10635 1/20 0.56
HPGD P15428 1/20 0.56
ALOX12 P18054 1/20 0.56
NFKB1 P19838 1/20 0.56
APEX1 P27695 1/20 0.56
MAPK1 P28482 1/20 0.56
HSD17B10 Q99714 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.48
KEAP1 Q14145 1/20 0.43
NFE2L2 Q16236 1/20 0.43
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
GAA P10253 2/20 0.38
PARP1 P09874 7/20 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
SCHEMBL2282787 0.87 KDM4E (0.58) ALDH1A1POLBKDM4ETP53GLA
SCHEMBL476926 0.87 KDM4E (0.58) ALDH1A1POLBKDM4ETP53GLA
SCHEMBL20294662 0.86 ALDH1A1 (0.57) ALDH1A1POLBKDM4ETP53GLA
SCHEMBL6259464 0.86 ALDH1A1 (0.57) ALDH1A1POLBKDM4ETP53GLA
SCHEMBL20294664 0.86 ALDH1A1 (0.57) ALDH1A1POLBKDM4ETP53GLA
SCHEMBL6259576 0.84 ALDH1A1 (0.54) ALDH1A1POLBKDM4ETP53GLA
SCHEMBL845556 0.84 ALDH1A1 (0.77) ALDH1A1POLBKDM4ETP53GLA
SCHEMBL3499274 0.84 ALDH1A1 (0.77) ALDH1A1POLBKDM4ETP53GLA
SCHEMBL6261469 0.83 ALDH1A1 (0.53) ALDH1A1POLBKDM4ETP53GLA
SCHEMBL6262312 0.82 ALDH1A1 (0.52) ALDH1A1POLBKDM4ETP53GLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20010041716-A1 Compositions and methods for locally treating inflammatory diseases REGENTS OF THE UNIVESITY OF MICHIGAN, THE 2001-11-15 US disclosed
WO-2001041755-A2 TOPICAL COMPOSITIONS COMPRISING THALIDOMIDE FOR THE TREATMENT OF INFLAMMATORY DISEASES THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2001-06-14 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 (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-20010041716-A1 Compositions and methods for locally treating inflammatory diseases TNF, TSLP, LITAF ALDH1A1 1421/4885POLB 1633/4885KDM4E 3293/4885

“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.