SCHEMBL2073734

SCHEMBL2073734

Cc1c(F)cc(C(=O)NCC2CC2)cc1B1OC(C)(C)C(C)(C)O1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 9/20 0.50
CYP2C9 P11712 3/20 0.50
MAPK11 Q15759 1/20 0.46
HDAC4 P56524 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
MCHR1 Q99705 3/20 0.39
CACNA1I Q9P0X4 3/20 0.38
KCNH2 Q12809 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
ADRA2A P08913 1/20 0.38
ADRA1A P35348 1/20 0.38
HRH1 P35367 1/20 0.38
HTR2B P41595 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
SCHEMBL2215153 0.84 HDAC6 (0.41) MAPK14CYP2C9HDAC4HDAC6
SCHEMBL1233356 0.82 MAPK14 (0.46) MAPK14CYP2C9MAPK11
SCHEMBL20460581 0.82 HDAC6 (0.39) MAPK14CYP2C9HDAC4HDAC6
SCHEMBL1233325 0.81 MAPK14 (0.56) MAPK14CYP2C9MAPK11
SCHEMBL20460388 0.81 RAB9A (0.43) HDAC6
SCHEMBL20547039 0.80 POLB (0.41) MAPK14CYP2C9MAPK11HDAC6
SCHEMBL14077637 0.76 HDAC1 (0.37) HDAC6
SCHEMBL20448590 0.76 HDAC1 (0.37) HDAC6TDP1
SCHEMBL4225195 0.75 KDM4E (0.39) HDAC6TDP1
SCHEMBL3672356 0.75 F11 (0.36) HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8772288-B2 Substituted spiro[cycloalkyl-1,3′-indo]-2′(1′H)-one derivatives and their use as P38 mitogen-activated kinase inhibitors ALMIRALL, S.A. (ES) 2014-07-08 US disclosed
EP-2280943-B1 NEW SUBSTITUTED SPIRO[CYCLOALKYL-1,3'-INDO]-2'(1'H)-ONE DERIVATIVES AND THEIR USE AS P38 MITOGEN-ACTIVATED KINASE INHIBITORS ALMIRALL SA (ES) 2013-11-06 EP disclosed
US-20110053936-A1 SUBSTITUTED SPIRO[CYCLOALKYL-1,3'-INDOL]-2'(1'H)-ONE DERIVATIVES AND THEIR USE AS P38 MITOGEN-ACTIVATED KINASE INHIBITORS ALMIRALL, S.A. (ES) 2011-03-03 US disclosed
EP-2108641-A1 New substituted spiro[cycloalkyl-1,3'-indo]-2'(1'H)-one derivatives and their use as p38 mitogen-activated kinase inhibitors Laboratorios Almirall, S.A. (ES) 2009-10-14 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-20110053936-A1 SUBSTITUTED SPIRO[CYCLOALKYL-1,3'-INDOL]-2'(1'H)-ONE DERIVATIVES AND THEIR USE AS P38 MITOGEN-ACTIVATED KINASE INHIBITORS MAPK1, MAP3K1, MAP3K7 MAPK14 25/4885CYP2C9 2080/4885MAPK11 35/4885

“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.