SCHEMBL13554388

SCHEMBL13554388

CCN(CC(=O)O)C(CCCCNC(=O)Cc1c(C)c2ccc(O)cc2oc1=O)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 6/20 0.49
▸ MAPT P10636 4/20 0.49
▸ KDM4E B2RXH2 3/20 0.47
▸ GLA P06280 3/20 0.47
▸ GAA P10253 3/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ HPGD P15428 2/20 0.47
▸ CASP1 P29466 2/20 0.47
▸ CASP7 P55210 2/20 0.47
▸ HSD17B10 Q99714 2/20 0.47
▸ TSHR P16473 1/20 0.47
▸ HSD17B3 P37058 2/20 0.45
▸ NPC1 O15118 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ NCOA1 Q15788 1/20 0.43
▸ NCOA3 Q9Y6Q9 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ ERAP1 Q9NZ08 1/20 0.43
▸ PKM P14618 1/20 0.42
▸ KMT2A Q03164 2/20 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
SCHEMBL13917924 0.96 TP53 (0.51) TP53MAPTKDM4EGLAGAA
SCHEMBL13554386 0.86 NPC1 (0.44) TP53NPC1RAB9ANCOA1NCOA3
SCHEMBL28364398 0.82 NPC1 (0.41) TP53MAPTKDM4ENPC1RAB9A
SCHEMBL28368521 0.82 NPC1 (0.41) TP53MAPTNPC1RAB9ANCOA1
SCHEMBL16871074 0.82 NPC1 (0.41) TP53MAPTNPC1RAB9ANCOA1
SCHEMBL28364396 0.82 NPC1 (0.41) TP53MAPTKDM4ENPC1RAB9A
SCHEMBL13554387 0.82 CTDSP1 (0.43) TP53MAPTGAANPC1RAB9A
SCHEMBL13932254 0.79 NPC1 (0.46) TP53NPC1RAB9ANCOA1NCOA3
SCHEMBL13917922 0.77 CTDSP1 (0.45) TP53MAPTGAANPC1RAB9A
SCHEMBL13917915 0.76 NPC1 (0.42) TP53NPC1RAB9ANCOA1NCOA3

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 TP53 821/4885MAPT 2359/4885KDM4E 4156/4885
US-20120270757-A1 SITE-SPECIFIC LABELING OF AFFINITY TAGS IN FUSION PROTEINS APBA1, NAPA, F13B TP53 931/4885MAPT 2185/4885KDM4E 4084/4885

“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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