SCHEMBL3129281

SCHEMBL3129281

COc1cc(N(Cc2cccc(F)c2)c2cccc(C(=O)OC(C)(C)C)c2)ccc1OC(F)F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.39
QPCT Q16769 1/20 0.38
ADRB2 P07550 1/20 0.37
ADRB1 P08588 1/20 0.37
ADRB3 P13945 1/20 0.37
POLB P06746 2/20 0.37
GAA P10253 1/20 0.37
LPAR1 Q92633 2/20 0.37
KMT2A Q03164 1/20 0.37
RIPK1 Q13546 1/20 0.36
LPAR5 Q9H1C0 1/20 0.36
NPC1 O15118 1/20 0.36
CTSS P25774 1/20 0.35
CTSK P43235 1/20 0.35
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
MRGPRX4 Q96LA9 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35

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
SCHEMBL3211471 0.95 SLC7A5 (0.41) SLC7A5POLBKMT2ARIPK1CTSS
SCHEMBL3125476 0.93 QPCT (0.42) SLC7A5QPCTADRB2ADRB1ADRB3
SCHEMBL3123732 0.88 MRGPRX4 (0.44) QPCTLPAR1KMT2ALPAR5PDE4A
SCHEMBL3212697 0.87 POLB (0.36) SLC7A5POLBGAAKMT2ANPC1
SCHEMBL3204346 0.87 PPARA (0.39) SLC7A5KMT2APDE4APDE4BPDE4C
SCHEMBL3122799 0.87 PDE4B (0.42) SLC7A5QPCTPOLBGAAKMT2A
SCHEMBL3131007 0.86 KMT2A (0.45) SLC7A5QPCTADRB2ADRB1ADRB3
SCHEMBL3121021 0.85 LTC4S (0.39) SLC7A5QPCTADRB2ADRB1ADRB3
SCHEMBL3211537 0.84 PDE4B (0.45) POLBLPAR1LPAR5PDE4APDE4B
SCHEMBL3129713 0.84 LPAR1 (0.45) POLBLPAR1LPAR5PDE4APDE4B

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 SLC7A5 3593/4885QPCT 1877/4885ADRB2 76/4885

“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.