SCHEMBL1314490

SCHEMBL1314490

CC1CCC(C(=O)OC(C)(C)CCC(=O)c2ccc(-c3ccc4cc(C(=O)COC(=O)[C@@H]5CC[C@H](C)N5C(=O)OC(C)(C)C)ccc4c3)cc2)N1C(=O)OC(C)(C)CCC(=O)c1ccc(-c2ccc3cc(C(=O)COC(=O)[C@@H]4CC[C@H](C)N4C(=O)OC(C)(C)C)ccc3c2)cc1

nearest known ligand 0.32

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PDE4D Q08499 3/20 0.32
▸ NPC1 O15118 2/20 0.32
▸ RAB9A P51151 2/20 0.32
▸ PDE4A P27815 2/20 0.32
▸ PDE4B Q07343 2/20 0.32
▸ PDE4C Q08493 2/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ GPR119 Q8TDV5 3/20 0.31
▸ HRH3 Q9Y5N1 1/20 0.31
▸ P2RY14 Q15391 1/20 0.30
▸ PTPN2 P17706 1/20 0.30
▸ PTPN1 P18031 1/20 0.30
▸ PTPN6 P29350 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
SCHEMBL1314604 1.00 PDE4D (0.32) PDE4DNPC1RAB9APDE4APDE4B
SCHEMBL1294459 0.92 NPC1 (0.36) PDE4DNPC1RAB9APDE4APDE4B
SCHEMBL1294688 0.92 NPC1 (0.36) PDE4DNPC1RAB9APDE4APDE4B
SCHEMBL12117222 0.92 NPC1 (0.36) PDE4DNPC1RAB9APDE4APDE4B
SCHEMBL1294457 0.92 NPC1 (0.36) PDE4DNPC1RAB9APDE4APDE4B
SCHEMBL1294687 0.92 NPC1 (0.36) PDE4DNPC1RAB9APDE4APDE4B
SCHEMBL1315238 0.89 KDM4E (0.30) —
SCHEMBL17948080 0.86 NPC1 (0.33) NPC1RAB9AL3MBTL1GPR119HRH3
SCHEMBL1316080 0.85 NPC1 (0.38) PDE4DNPC1RAB9APDE4APDE4B
SCHEMBL12686973 0.84 NPC1 (0.41) NPC1RAB9AL3MBTL1GPR119HRH3

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110274648-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-11-10 — — 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-20110274648-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS PDE4D 2633/4885NPC1 65/4885RAB9A 2463/4885

“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.

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