SCHEMBL1962860

SCHEMBL1962860

COC(=O)c1cccc(CNC(N)=O)c1C(=O)OC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
LMNA P02545 2/20 0.44
CFTR P13569 1/20 0.44
HSD17B10 Q99714 1/20 0.44
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA9 Q16790 2/20 0.43
CA12 O43570 1/20 0.43
CA7 P43166 1/20 0.43
CA14 Q9ULX7 1/20 0.43
HPGD P15428 2/20 0.42
MAPK8 P45983 1/20 0.42
MAPK9 P45984 1/20 0.42
MAPK10 P53779 1/20 0.42
KDM4E B2RXH2 3/20 0.42
RCE1 Q9Y256 1/20 0.42
ADORA2A P29274 1/20 0.41
MTNR1A P48039 3/20 0.41
MTNR1B P49286 1/20 0.41
TSHR P16473 1/20 0.41

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
SCHEMBL2383105 0.86 BDKRB1 (0.51) ALDH1A1LMNACFTRHSD17B10CA1
SCHEMBL2647891 0.86 ALDH1A1 (0.55) ALDH1A1LMNACFTRHSD17B10CA1
SCHEMBL2382697 0.81 ALDH1A1 (0.43) ALDH1A1LMNACA1CA2CA9
SCHEMBL1962306 0.81 ALDH1A1 (0.49) ALDH1A1LMNACFTRHSD17B10CA1
SCHEMBL5772033 0.80 CA1 (0.52) ALDH1A1LMNACFTRHSD17B10CA1
SCHEMBL3667908 0.80 CA1 (0.52) ALDH1A1LMNACFTRHSD17B10CA1
SCHEMBL2381785 0.80 HPGD (0.53) ALDH1A1HSD17B10HPGDKDM4EMTNR1A
SCHEMBL2381485 0.80 KCNA5 (0.49) ALDH1A1LMNAHSD17B10CA1CA2
Hydrochloric Acid SCHEMBL1962304 0.80 ALDH1A1 (0.47) ALDH1A1LMNACFTRHSD17B10CA1
SCHEMBL1962862 0.79 TSHR (0.47) ALDH1A1LMNAHSD17B10CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1919892-B1 ISOINDOLE-IMIDE COMPOUNDS AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME CELGENE CORP (US) 2013-08-14 EP disclosed
US-8481568-B2 Isoindole-imide compounds and compositions comprising and methods of using the same CELGENE CORPORATION (US) 2013-07-09 US disclosed
US-20110144158-A1 ISOINDOLE-IMIDE COMPOUNDS AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME SEPRACOR INC. 2011-06-16 US disclosed
EP-1919892-A2 ISOINDOLE-IMIDE COMPOUNDS AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME CELGENE CORPORATION (US) 2008-05-14 EP disclosed
WO-2007027527-A2 ISOINDOLE-IMIDE COMPOUNDS AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME CELGENE CORPORATION (US) 2007-03-08 WO disclosed
US-20070049618-A1 Isoindole-imide compounds and compositions comprising and methods of using the same CELGENE CORPORATION 2007-03-01 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 (2 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-20110144158-A1 ISOINDOLE-IMIDE COMPOUNDS AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME SI, CYP3A5, CYP2D6 ALDH1A1 1081/4885LMNA 2887/4885CFTR 1782/4885
US-20070049618-A1 Isoindole-imide compounds and compositions comprising and methods of using the same SI, CYP3A5, CYP2D6 ALDH1A1 1081/4885LMNA 2887/4885CFTR 1782/4885

“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.