SCHEMBL3129124

SCHEMBL3129124

COc1cc(C(Nc2ccc(C(=O)OC(C)(C)C)cc2)c2cncs2)ccc1OC(F)F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.37
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
MAPK1 P28482 3/20 0.37
TP53 P04637 1/20 0.37
TSHR P16473 1/20 0.37
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
POLB P06746 2/20 0.34
KDM4E B2RXH2 1/20 0.34
HTT P42858 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
MAPT P10636 4/20 0.34
IMPDH2 P12268 1/20 0.34
IMPDH1 P20839 1/20 0.34
MEN1 O00255 4/20 0.33
KMT2A Q03164 4/20 0.33
LMNA P02545 3/20 0.33

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
SCHEMBL2908019 0.89 KCNQ3 (0.37) RAB9AMAPK1HTTIMPDH2IMPDH1
SCHEMBL2905041 0.85 CD38 (0.36) MAPTIMPDH2IMPDH1MEN1KMT2A
SCHEMBL3202700 0.83 LMNA (0.40) SMN1; SMN2NPC1RAB9AMAPK1TP53
SCHEMBL2908192 0.81 IMPDH2 (0.36) SMN1; SMN2RAB9AMAPK1MAPTIMPDH2
SCHEMBL2907448 0.79 TMPRSS15 (0.36) SMN1; SMN2NPC1RAB9AMAPK1MAPT
SCHEMBL3120585 0.77 F7 (0.42) RAB9AMAPK1PDE4APDE4BPDE4C
SCHEMBL2908813 0.76 MKNK1 (0.35) RAB9AKMT2AALDH1A1F7
SCHEMBL3125818 0.76 TSHR (0.49) SMN1; SMN2MAPK1TSHRMAPTKMT2A
SCHEMBL3216932 0.75 SMN1; SMN2 (0.47) SMN1; SMN2NPC1RAB9AMAPK1TP53
SCHEMBL3120604 0.75 F7 (0.44) NPC1MAPK1PDE4APDE4BPDE4C

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-20100029689-A1 PHOSPHODIESTERASE 4 INHIBITORS MEMORY PHARMACEUTICALS CORPORATION (US) 2010-02-04 US disclosed
WO-2010003084-A2 PHOSPHODIESTERASE 4 INHIBITORS MEMORY PHARMACEUTICALS CORPORATION (US) 2010-01-07 WO 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 3703/4885NPC1 3803/4885RAB9A 2160/4885

“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.