SCHEMBL3059142

SCHEMBL3059142

CC1(C)Cc2cc(Nc3cccc(C(=O)NC4CC4)c3)ccc2C1=O

nearest known ligand 0.64

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 13/20 0.64
SMYD3 Q9H7B4 3/20 0.47
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
NPC1 O15118 3/20 0.42
RAB9A P51151 2/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL3051761 0.86 AKR1C3 (0.47) MAPK14RAB9AKMT2A
SCHEMBL3048385 0.84 MAPK14 (0.65) MAPK14
SCHEMBL3040717 0.83 MAPK14 (0.65) MAPK14
SCHEMBL3051669 0.83 MAPK14 (0.52) MAPK14KMT2A
SCHEMBL3041990 0.82 MAPK14 (0.50) MAPK14KMT2A
SCHEMBL3063392 0.78 MAPK14 (0.50) MAPK14TDP1KMT2A
SCHEMBL4504889 0.76 MAPK14 (0.60) MAPK14
SCHEMBL3042003 0.75 NPC1 (0.46) MAPK14TDP1NPC1RAB9AKMT2A
SCHEMBL3050591 0.74 MAPK14 (0.68) MAPK14
SCHEMBL27706506 0.72 KIF11 (0.57) L3MBTL1NPC1RAB9AKMT2A

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-20100222363-A1 Bicyclic Derivatives as P38 Inhibitors PALAU PHARMA, S.A. (ES) 2010-09-02 US claimed
US-20100222363-A1 Bicyclic Derivatives as P38 Inhibitors PALAU PHARMA, S.A. (ES) 2010-09-02 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 (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-20100222363-A1 Bicyclic Derivatives as P38 Inhibitors MAPK1, MAPKAPK2, MAPK7 MAPK14 21/4885SMYD3 3863/4885TDP1 1060/4885

“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.