SCHEMBL352477

SCHEMBL352477

CCOC(=O)CC(=O)N1CCCc2c(Cc3ccc(F)cc3)cnc(C(=O)OC(C)C)c21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 5/20 0.40
PDE3A Q14432 5/20 0.40
IDO1 P14902 1/20 0.36
KCNH2 Q12809 1/20 0.36
NPSR1 Q6W5P4 2/20 0.36
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
MAOB P27338 1/20 0.32
LMNA P02545 2/20 0.32
MAPT P10636 2/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
ALOX12 P18054 1/20 0.32
CCR6 P51684 1/20 0.32
HKDC1 Q2TB90 1/20 0.32
KDM4C Q9H3R0 1/20 0.32
P2RY12 Q9H244 1/20 0.32
CXCR1 P25024 1/20 0.32
CXCR2 P25025 1/20 0.32

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
SCHEMBL351045 0.82 NPSR1 (0.36) PDE3BPDE3ANPSR1MEN1KMT2A
SCHEMBL351535 0.72 PARP1 (0.43) PDE3BPDE3ANPSR1LMNAMAPT
SCHEMBL352370 0.69 NPSR1 (0.36) NPSR1MEN1KMT2ALMNAKDM4E
SCHEMBL12306126 0.68 NPSR1 (0.47) NPSR1MEN1KMT2ALMNAMAPT
SCHEMBL12359023 0.68 NPSR1 (0.35) NPSR1MEN1KMT2AMAOBLMNA
SCHEMBL12359157 0.68 NPSR1 (0.34) PDE3BPDE3ANPSR1MEN1KMT2A
SCHEMBL12373150 0.67 NPSR1 (0.33) NPSR1
SCHEMBL12359096 0.66 NPSR1 (0.33) NPSR1
SCHEMBL12333624 0.66 NPSR1 (0.33) NPSR1
SCHEMBL338481 0.66 NPSR1 (0.47) NPSR1KMT2ALMNAMAPT

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
EP-2321319-B1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES INC (US) 2012-03-14 EP disclosed
US-7998950-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2011-08-16 US disclosed
US-7998950-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2011-08-16 US disclosed
WO-2010011959-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2010-01-28 WO disclosed
US-20100022508-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2010-01-28 US disclosed
US-20100022508-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2010-01-28 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-20100022508-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 PDE3B 3577/4885PDE3A 3779/4885IDO1 889/4885

“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.