SCHEMBL3201882

SCHEMBL3201882

OC[C@@H](O)COc1cccc(N(Cc2cncs2)c2ccc(OC(F)F)c(OC(F)F)c2)c1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.39
MAPK1 P28482 1/20 0.39
PIK3CG P48736 1/20 0.33
MAPK14 Q16539 2/20 0.31
GAK O14976 1/20 0.31
LCK P06239 1/20 0.31
CYP3A4 P08684 1/20 0.31
PDGFRB P09619 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
MAPK9 P45984 1/20 0.31
MAPK10 P53779 1/20 0.31
EPHA5 P54756 1/20 0.31
MAPK11 Q15759 1/20 0.31
HIF1A Q16665 1/20 0.31
HRH4 Q9H3N8 1/20 0.30
PDE4B Q07343 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL3250047 1.00 TSHR (0.39) TSHRMAPK1PIK3CGMAPK14GAK
SCHEMBL3204154 0.92 TRPM8 (0.34) TSHRMAPK1HRH4PDE4BMEN1
SCHEMBL3202266 0.91 TSHR (0.34) TSHRMAPK1CYP3A4HIF1AHRH4
SCHEMBL3193748 0.85 GRM2 (0.43) TSHRMAPK1PDE4B
SCHEMBL3126720 0.84 TAAR1 (0.33) CYP3A4HRH4PDE4B
SCHEMBL3250041 0.84 PDE4B (0.35) CYP3A4PDE4B
SCHEMBL3131360 0.81 PDE4B (0.35) CYP3A4PDE4BKMT2A
SCHEMBL3123327 0.79 PDE4A (0.38) PDE4BKMT2A
SCHEMBL3192323 0.78 HRH4 (0.33) HRH4PDE4B
SCHEMBL3203614 0.77 ALDH1A1 (0.42) TSHRMAPK1CYP3A4CYP2C9PDE4B

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 6 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 claimed
WO-2010003084-A2 PHOSPHODIESTERASE 4 INHIBITORS MEMORY PHARMACEUTICALS CORPORATION (US) 2010-01-07 WO claimed
US-20100029689-A1 PHOSPHODIESTERASE 4 INHIBITORS MEMORY PHARMACEUTICALS CORPORATION (US) 2010-02-04 US disclosed
US-20100029689-A1 PHOSPHODIESTERASE 4 INHIBITORS MEMORY PHARMACEUTICALS CORPORATION (US) 2010-02-04 US disclosed
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 TSHR 1908/4885MAPK1 1371/4885PIK3CG 1394/4885

“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.