SCHEMBL13554386

SCHEMBL13554386

CCN(CC(=O)O)C(CCCCNC(=O)Cc1c(C)c2cc(C)c(N)cc2oc1=O)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.44
▸ RAB9A P51151 2/20 0.44
▸ NCOA1 Q15788 1/20 0.44
▸ NCOA3 Q9Y6Q9 1/20 0.44
▸ KMT2A Q03164 4/20 0.44
▸ TP53 P04637 3/20 0.42
▸ MEN1 O00255 3/20 0.42
▸ CTDSP1 Q9GZU7 2/20 0.40
▸ DUSP3 P51452 1/20 0.40
▸ PTPN5 P54829 1/20 0.40
▸ PTPN11 Q06124 1/20 0.40
▸ KLK7 P49862 1/20 0.39
▸ POLB P06746 1/20 0.38

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
SCHEMBL13932254 0.86 NPC1 (0.46) NPC1RAB9ANCOA1NCOA3KMT2A
SCHEMBL13554388 0.86 TP53 (0.49) NPC1RAB9ANCOA1NCOA3KMT2A
SCHEMBL13917915 0.83 NPC1 (0.42) NPC1RAB9ANCOA1NCOA3KMT2A
SCHEMBL13917924 0.81 TP53 (0.51) NPC1RAB9ANCOA1NCOA3KMT2A
SCHEMBL28364396 0.80 NPC1 (0.41) NPC1RAB9ANCOA1NCOA3KMT2A
SCHEMBL28364398 0.80 NPC1 (0.41) NPC1RAB9ANCOA1NCOA3KMT2A
SCHEMBL13554387 0.80 CTDSP1 (0.43) NPC1RAB9ANCOA1NCOA3KMT2A
SCHEMBL16871074 0.77 NPC1 (0.41) NPC1RAB9ANCOA1NCOA3KMT2A
SCHEMBL28368521 0.77 NPC1 (0.41) NPC1RAB9ANCOA1NCOA3KMT2A
SCHEMBL17469558 0.75 NPC1 (0.43) NPC1RAB9ANCOA1NCOA3KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160025713-A1 SITE-SPECIFIC LABELING OF AFFINITY TAGS IN FUSION PROTEINS LIFE TECHNOLOGIES CORP (US) 2016-01-28 — — US disclosed
US-9164099-B2 Site-specific labeling of affinity tags in fusion proteins Life Technologies Corporation (US) 2015-10-20 — — US disclosed
US-20140038856-A1 Site-specific labeling of affinity tags in fusion proteins Life Technologies Corporation (US) 2014-02-06 — — US disclosed
US-20120270757-A1 SITE-SPECIFIC LABELING OF AFFINITY TAGS IN FUSION PROTEINS Life Technologies Corporation (US) 2012-10-25 — — 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 (2 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-20160025713-A1 SITE-SPECIFIC LABELING OF AFFINITY TAGS IN FUSION PROTEINS APBA1, F13A1, F13B NPC1 3663/4885RAB9A 2987/4885NCOA1 3107/4885
US-20120270757-A1 SITE-SPECIFIC LABELING OF AFFINITY TAGS IN FUSION PROTEINS APBA1, NAPA, F13B NPC1 3592/4885RAB9A 3430/4885NCOA1 3025/4885

“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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