SCHEMBL3662421

SCHEMBL3662421

CC(C)(C)OC(=O)Nc1ccccc1NC(=O)c1ccc(C(=O)O)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 1/20 0.53
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
HDAC1 Q13547 2/20 0.49
NAMPT P43490 1/20 0.49
MAPT P10636 2/20 0.48
NPC1 O15118 3/20 0.48
RAB9A P51151 2/20 0.48
ALDH1A1 P00352 1/20 0.48
GLA P06280 1/20 0.48
ATM Q13315 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
POLB P06746 1/20 0.47
HPGD P15428 1/20 0.47
PPARG P37231 5/20 0.47
NR1H4 Q96RI1 5/20 0.47
PPARA Q07869 1/20 0.47
DHODH Q02127 1/20 0.47
RECQL P46063 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL2829176 0.92 POLB (0.56) F10MEN1KMT2AHDAC1NAMPT
SCHEMBL1066788 0.88 F10 (0.53) F10MEN1KMT2AHDAC1NAMPT
SCHEMBL12772560 0.88 NPC1 (0.57) F10MEN1KMT2AHDAC1NAMPT
SCHEMBL13949629 0.88 MEN1 (0.54) F10MEN1KMT2AHDAC1NAMPT
SCHEMBL30944732 0.87 F10 (0.55) F10MEN1KMT2AHDAC1NAMPT
SCHEMBL30091856 0.87 GAA (0.53) F10MEN1KMT2AHDAC1NAMPT
SCHEMBL2829994 0.87 F10 (0.51) F10MEN1KMT2AHDAC1NAMPT
SCHEMBL1705479 0.87 GAA (0.53) F10MEN1KMT2AHDAC1NAMPT
SCHEMBL1062994 0.87 F10 (0.55) F10MEN1KMT2AHDAC1NAMPT
SCHEMBL31635248 0.85 HDAC1 (0.55) F10MEN1KMT2AHDAC1NAMPT

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-1926480-B1 Method for the production of soft capsule envelopes based on polyvinyl alcohol-polyethylene glycol graft copolymers BASF SE (DE) 2013-07-17 EP disclosed
US-20110065734-A1 NOVEL BIFUNCTIONAL COMPOUNDS WHICH INHIBIT PROTEIN KINASES AND HISTONE DEACETYLASES 4SC AG (DE) 2011-03-17 US disclosed
EP-2220042-A1 NOVEL BIFUNCTIONAL COMPOUNDS WHICH INHIBIT PROTEIN KINASES AND HISTONE DEACETYLASES 4SC AG (DE) 2010-08-25 EP disclosed
WO-2009063054-A1 NOVEL BIFUNCTIONAL COMPOUNDS WHICH INHIBIT PROTEIN KINASES AND HISTONE DEACETYLASES 4SC AG (DE) 2009-05-22 WO disclosed
EP-2060565-A1 Novel bifunctional compounds which inhibit protein kinases and histone deacetylases 4SC AG (DE) 2009-05-20 EP disclosed
EP-2057986-A1 Soft capsules based on natural polysaccharides containing polyvinyl alcohol - polyethylenglycol - plug copolymers BASF SE (DE) 2009-05-13 EP 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-20110065734-A1 NOVEL BIFUNCTIONAL COMPOUNDS WHICH INHIBIT PROTEIN KINASES AND HISTONE DEACETYLASES HDAC1, HDAC11, MAP2K2 F10 3587/4885MEN1 2479/4885KMT2A 318/4885

“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.