SCHEMBL3978571

SCHEMBL3978571

CC(C)(C)C(O)CON1C(=O)c2ccccc2C1=O

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
GAA P10253 1/20 0.49
ALDH1A1 P00352 6/20 0.46
CYP1A2 P05177 2/20 0.46
CYP2C9 P11712 1/20 0.46
KMT2A Q03164 4/20 0.44
MEN1 O00255 2/20 0.44
HPGD P15428 1/20 0.44
ATM Q13315 1/20 0.44
MAPT P10636 2/20 0.43
RECQL P46063 1/20 0.42
HTT P42858 1/20 0.40
MAPK1 P28482 1/20 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
SCHEMBL4859751 0.89 POLB (0.53) POLBSMN1; SMN2GAAALDH1A1CYP1A2
SCHEMBL2296722 0.81 POLB (0.58) POLBSMN1; SMN2GAAALDH1A1CYP1A2
SCHEMBL31208299 0.81 POLB (0.58) POLBSMN1; SMN2GAAALDH1A1CYP1A2
SCHEMBL2296725 0.81 POLB (0.58) POLBSMN1; SMN2GAAALDH1A1CYP1A2
SCHEMBL529416 0.81 POLB (0.70) POLBSMN1; SMN2GAAALDH1A1CYP1A2
SCHEMBL8752996 0.79 POLB (0.56) POLBSMN1; SMN2GAAALDH1A1CYP1A2
SCHEMBL3576904 0.78 GAA (0.56) POLBSMN1; SMN2GAAALDH1A1CYP1A2
SCHEMBL19961833 0.78 GAA (0.56) POLBSMN1; SMN2GAAALDH1A1CYP1A2
SCHEMBL12767417 0.77 GAA (0.53) POLBSMN1; SMN2GAAALDH1A1CYP1A2
SCHEMBL6526529 0.77 POLB (0.61) POLBSMN1; SMN2GAAALDH1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1673339-B1 HETEROCYCLIC INHIBITORS OF MEK AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC (US) 2013-07-03 EP disclosed
US-7538120-B2 Method of treating inflammatory diseases ARRAY BIOPHARMA INC. (US) 2009-05-26 US disclosed
EP-1673339-A4 HETEROCYCLIC INHIBITORS OF MEK AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC (US) 2009-04-29 EP disclosed
US-7230099-B2 Heterocyclic inhibitors of MEK and methods of use thereof ARRAY BIOPHARMA, INC. (US) 2007-06-12 US disclosed
WO-2007022529-A2 METHOD OF TREATING INFLAMMATORY DISEASES ARRAY BIOPHARMA INC. (US) 2007-02-22 WO disclosed
EP-1673339-A2 HETEROCYCLIC INHIBITORS OF MEK AND METHODS OF USE THEREOF Array Biopharma, Inc. (US) 2006-06-28 EP disclosed
US-20060030610-A1 Method of treating inflammatory diseases ARRAY BIOPHARMA INC. 2006-02-09 US disclosed
WO-2005023759-A2 HETEROCYCLIC INHIBITORS OF MEK AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC. (US) 2005-03-17 WO disclosed
US-20050054701-A1 Heterocyclic inhibitors of MEK and methods of use thereof ARRAY BIOPHARMA INC. 2005-03-10 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-20050054701-A1 Heterocyclic inhibitors of MEK and methods of use thereof NRAS, BRAF, RAF1 POLB 1430/4885SMN1; SMN2 4003/4885GAA 3119/4885
US-20060030610-A1 Method of treating inflammatory diseases TNF, MPO, FABP2 POLB 2502/4885SMN1; SMN2 1978/4885GAA 444/4885

“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.