SCHEMBL4085418

SCHEMBL4085418

CC(C)(C)OC(=O)NN(C(=O)c1ccc(C(=O)O)cc1)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
MAPT P10636 1/20 0.46
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.44
RAB9A P51151 1/20 0.44
AKT1 P31749 3/20 0.44
CTSL P07711 2/20 0.43
CTSB P07858 2/20 0.43
CTSS P25774 2/20 0.43
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
KMT2A Q03164 1/20 0.42
PTGES O14684 1/20 0.40
ALOX5 P09917 1/20 0.40
HTT P42858 1/20 0.40
POLB P06746 1/20 0.39
PPARG P37231 3/20 0.39

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
SCHEMBL10565579 0.81 AKT1 (0.49) TDP1L3MBTL1MAPTSMN1; SMN2RAB9A
SCHEMBL2133268 0.80 KMO (0.47) CYP3A4CYP2C9CYP2C19RAB9AHTT
SCHEMBL4481810 0.80 AKT1 (0.44) TDP1L3MBTL1CYP3A4CYP2C9CYP2C19
SCHEMBL28974770 0.79 AKT1 (0.49) L3MBTL1MAPTAKT1CTSLCTSB
SCHEMBL21371471 0.77 TDP1 (0.47) TDP1L3MBTL1CYP3A4CYP2C9AKT1
SCHEMBL21934953 0.76 CYP3A4 (0.41) L3MBTL1MAPTCYP3A4CYP2C9CYP2C19
SCHEMBL4480450 0.76 AKT1 (0.43) TDP1L3MBTL1AKT1CTSLCTSB
SCHEMBL28974600 0.76 MAPT (0.41) MAPTRAB9AAKT1CTSLCTSB
SCHEMBL1780465 0.75 AKT1 (0.41) MAPTSMN1; SMN2RAB9AAKT1CTSL
SCHEMBL440962 0.75 AKT1 (0.49) TDP1CYP3A4CYP2C9CYP2C19SMN1; SMN2

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-20110065734-A1 NOVEL BIFUNCTIONAL COMPOUNDS WHICH INHIBIT PROTEIN KINASES AND HISTONE DEACETYLASES 4SC AG (DE) 2011-03-17 US disclosed
EP-2060565-A1 Novel bifunctional compounds which inhibit protein kinases and histone deacetylases 4SC AG (DE) 2009-05-20 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 TDP1 1844/4885L3MBTL1 1218/4885MAPT 3011/4885

“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.