SCHEMBL3202234

SCHEMBL3202234

CCS(=O)(=O)Nc1cccc(N(Cc2cncs2)c2ccc(OC(F)F)c(OC(F)F)c2)c1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.36
ADRA1A P35348 1/20 0.36
HRH4 Q9H3N8 1/20 0.34
CYP17A1 P05093 1/20 0.33
BRD4 O60885 3/20 0.33
NR3C1 P04150 1/20 0.32
KCNB1 Q14721 1/20 0.32
KMT2A Q03164 3/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
ALDH1A1 P00352 1/20 0.32
PKM P14618 1/20 0.32
HTT P42858 1/20 0.32
ROCK2 O75116 1/20 0.32
KDM1A O60341 1/20 0.31
LRRK2 Q5S007 1/20 0.31

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
SCHEMBL3210253 0.92 NR3C1 (0.41) HRH4CYP17A1NR3C1KMT2AALDH1A1
SCHEMBL3207210 0.83 TAAR1 (0.43) HRH4LRRK2
SCHEMBL3194668 0.81 RORC (0.35) HRH4
SCHEMBL3204654 0.80 HRH4 (0.33) HRH4
SCHEMBL3212622 0.80 PDE4A (0.33) HRH4
SCHEMBL3192323 0.79 HRH4 (0.33) HRH4
SCHEMBL3203668 0.79 ADRB3 (0.36) HRH4CYP17A1NPC1RAB9AALDH1A1
SCHEMBL3123327 0.79 PDE4A (0.38) KMT2A
SCHEMBL3202779 0.79 LMNA (0.38) HRH4KMT2AALDH1A1HTT
SCHEMBL3214943 0.79 HRH4 (0.33) HRH4KMT2AHTT

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 ADRA2A 91/4885ADRA1A 73/4885HRH4 442/4885

“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.