SCHEMBL3216932

SCHEMBL3216932

COc1cc(Nc2ccc(C(=O)OC(C)(C)C)cc2)ccc1OC(F)F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.47
MAPK1 P28482 3/20 0.47
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
TP53 P04637 1/20 0.47
TSHR P16473 1/20 0.47
MAPT P10636 5/20 0.45
MEN1 O00255 5/20 0.45
KMT2A Q03164 5/20 0.45
LMNA P02545 2/20 0.45
KDM4E B2RXH2 1/20 0.44
HTT P42858 1/20 0.44
GAA P10253 3/20 0.43
ALDH1A1 P00352 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.41
HPGD P15428 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
SCHEMBL3205372 0.94 ABCG2 (0.42) SMN1; SMN2MAPK1NPC1RAB9ATP53
SCHEMBL3215132 0.87 KMT2A (0.49) SMN1; SMN2MAPK1NPC1RAB9ATSHR
SCHEMBL3129788 0.84 HTT (0.51) SMN1; SMN2MAPK1NPC1RAB9ATP53
SCHEMBL3202700 0.76 LMNA (0.40) SMN1; SMN2MAPK1NPC1RAB9ATP53
SCHEMBL3123192 0.75 PDE4A (0.48) SMN1; SMN2MAPK1NPC1RAB9ATP53
SCHEMBL3129124 0.75 SMN1; SMN2 (0.37) SMN1; SMN2MAPK1NPC1RAB9ATP53
SCHEMBL3738587 0.75 MAPT (0.64) SMN1; SMN2MAPK1NPC1RAB9ATP53
SCHEMBL4117088 0.74 KMT2A (0.72) SMN1; SMN2MAPK1NPC1RAB9ATP53
SCHEMBL11238694 0.73 TSHR (0.61) SMN1; SMN2MAPK1NPC1RAB9ATSHR
SCHEMBL30675569 0.72 SMN1; SMN2 (0.60) SMN1; SMN2MAPK1NPC1RAB9ATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100029689-A1 PHOSPHODIESTERASE 4 INHIBITORS MEMORY PHARMACEUTICALS CORPORATION (US) 2010-02-04 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-20100029689-A1 PHOSPHODIESTERASE 4 INHIBITORS PDE4A, PDE4B, PDE3B SMN1; SMN2 3703/4885MAPK1 1371/4885NPC1 3803/4885

“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.