SCHEMBL13534945

SCHEMBL13534945

CP(C)(=O)Cc1ccc(COC(=O)On2nnc3ccccc32)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.50
▸ RAB9A P51151 2/20 0.50
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ HDAC3 O15379 3/20 0.45
▸ HDAC4 P56524 3/20 0.45
▸ HDAC1 Q13547 3/20 0.45
▸ HDAC7 Q8WUI4 3/20 0.45
▸ HDAC2 Q92769 3/20 0.45
▸ HDAC10 Q969S8 3/20 0.45
▸ HDAC11 Q96DB2 3/20 0.45
▸ HDAC8 Q9BY41 3/20 0.45
▸ HDAC6 Q9UBN7 3/20 0.45
▸ HDAC9 Q9UKV0 3/20 0.45
▸ HDAC5 Q9UQL6 3/20 0.45
▸ KMT2A Q03164 3/20 0.44
▸ MAPT P10636 1/20 0.44
▸ SIRT2 Q8IXJ6 4/20 0.43
▸ TSHR P16473 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ RXFP1 Q9HBX9 1/20 0.41

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
SCHEMBL5000788 0.85 NPC1 (0.52) NPC1RAB9ASMN1; SMN2HDAC3HDAC4
SCHEMBL277619 0.78 HDAC3 (0.54) NPC1RAB9ASMN1; SMN2HDAC3HDAC4
SCHEMBL14123347 0.77 SIRT2 (0.55) NPC1RAB9ASMN1; SMN2HDAC3HDAC4
SCHEMBL10299923 0.77 HDAC3 (0.54) NPC1RAB9ASMN1; SMN2HDAC3HDAC4
SCHEMBL29773981 0.75 SIRT2 (0.61) NPC1RAB9ASMN1; SMN2HDAC3HDAC4
SCHEMBL39113 0.75 SIRT2 (0.61) NPC1RAB9ASMN1; SMN2HDAC3HDAC4
SCHEMBL12254053 0.75 HDAC3 (0.52) NPC1RAB9ASMN1; SMN2HDAC3HDAC4
SCHEMBL9910889 0.75 HDAC3 (0.52) NPC1RAB9ASMN1; SMN2HDAC3HDAC4
SCHEMBL20288005 0.75 NPC1 (0.43) NPC1RAB9ASMN1; SMN2HDAC3HDAC4
SCHEMBL125531 0.74 SIRT2 (0.51) NPC1RAB9ASMN1; SMN2HDAC3HDAC4

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-7649015-B2 Cellular accumulation of phosphonate analogs of HIV protease inhibitor compounds GILEAD SCIENCES, INC. (US) 2010-01-19 — — US disclosed
US-20070010489-A1 Cellular accumulation of phosphonate analogs of hiv protease inhibitor compounds GILEAD SCIENCES, INC. 2007-01-11 — — 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-20070010489-A1 Cellular accumulation of phosphonate analogs of hiv protease inhibitor compounds PPA1, PNP, PPME1 NPC1 626/4885RAB9A 2543/4885SMN1; SMN2 3324/4885

“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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