SCHEMBL13554387

SCHEMBL13554387

CCN(CC(=O)O)C(CCCCNC(=O)Cc1c(C)c2cc(F)c(O)c(F)c2oc1=O)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CTDSP1 Q9GZU7 2/20 0.43
▸ DUSP3 P51452 1/20 0.43
▸ PTPN5 P54829 1/20 0.43
▸ PTPN11 Q06124 1/20 0.43
▸ KMT2A Q03164 2/20 0.38
▸ POLB P06746 1/20 0.38
▸ CASP6 P55212 1/20 0.38
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ NCOA1 Q15788 1/20 0.37
▸ NCOA3 Q9Y6Q9 1/20 0.37
▸ TP53 P04637 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ GFER P55789 1/20 0.36
▸ NFKB1 P19838 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ CDYL Q9Y232 1/20 0.35

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
SCHEMBL13917922 0.96 CTDSP1 (0.45) CTDSP1DUSP3PTPN5PTPN11KMT2A
SCHEMBL23480278 0.82 CTDSP1 (0.50) CTDSP1DUSP3PTPN5PTPN11TP53
SCHEMBL13554388 0.82 TP53 (0.49) KMT2ANPC1RAB9ANCOA1NCOA3
SCHEMBL10026010 0.81 CTDSP1 (0.51) CTDSP1DUSP3PTPN5PTPN11KMT2A
SCHEMBL13177562 0.81 CTDSP1 (0.51) CTDSP1DUSP3PTPN5PTPN11KMT2A
SCHEMBL19389385 0.81 CTDSP1 (0.51) CTDSP1DUSP3PTPN5PTPN11KMT2A
SCHEMBL13554386 0.80 NPC1 (0.44) CTDSP1DUSP3PTPN5PTPN11KMT2A
SCHEMBL10026113 0.78 CTDSP1 (0.51) CTDSP1DUSP3PTPN5PTPN11KMT2A
SCHEMBL13917924 0.77 TP53 (0.51) KMT2ANPC1RAB9ANCOA1NCOA3
SCHEMBL1985951 0.74 POLB (0.53) CTDSP1DUSP3PTPN5PTPN11KMT2A

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 CTDSP1 2972/4885DUSP3 4334/4885PTPN5 2512/4885
US-20120270757-A1 SITE-SPECIFIC LABELING OF AFFINITY TAGS IN FUSION PROTEINS APBA1, NAPA, F13B CTDSP1 2809/4885DUSP3 4488/4885PTPN5 2957/4885

“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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