SCHEMBL14885115

SCHEMBL14885115

BOC(=O)[C@@H](C)O/N=C(\C(=O)O)c1csc(NC(=O)OC(C)(C)C)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 3/20 0.45
▸ MAPT P10636 3/20 0.45
▸ LMNA P02545 2/20 0.45
▸ ABCB1 P08183 4/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ PI4KB Q9UBF8 1/20 0.35
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ RECQL P46063 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ HDAC3 O15379 4/20 0.34
▸ HDAC1 Q13547 3/20 0.34
▸ HDAC2 Q92769 3/20 0.34
▸ HDAC10 Q969S8 3/20 0.34
▸ HDAC8 Q9BY41 2/20 0.34
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33

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
SCHEMBL8983007 0.93 GAA (0.45) GAAMAPTLMNAABCB1L3MBTL1
SCHEMBL8983013 0.93 GAA (0.45) GAAMAPTLMNAABCB1L3MBTL1
SCHEMBL12421328 0.91 GAA (0.43) GAAMAPTLMNAABCB1L3MBTL1
SCHEMBL21819580 0.88 GAA (0.43) GAAMAPTLMNAABCB1L3MBTL1
SCHEMBL21911822 0.88 GAA (0.43) GAAMAPTLMNAABCB1L3MBTL1
SCHEMBL21819579 0.88 GAA (0.43) GAAMAPTLMNAABCB1L3MBTL1
SCHEMBL20570225 0.87 GAA (0.42) GAAMAPTLMNAABCB1L3MBTL1
SCHEMBL20570223 0.87 GAA (0.42) GAAMAPTLMNAABCB1L3MBTL1
SCHEMBL14885084 0.87 MAPT (0.41) GAAMAPTLMNAABCB1L3MBTL1
SCHEMBL17425008 0.87 MAPT (0.41) GAAMAPTLMNAL3MBTL1MEN1

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-9145425-B2 Cephem compound having catechol group SHIONOGI & CO., LTD. (JP) 2015-09-29 — — US disclosed
US-20130102583-A1 CEPHEM COMPOUND HAVING CATECHOL GROUP SHIONOGI & CO., LTD. (JP) 2013-04-25 — — 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 (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-20130102583-A1 CEPHEM COMPOUND HAVING CATECHOL GROUP COMT, EZH1, SETD7 GAA 2936/4885MAPT 3022/4885LMNA 2405/4885

“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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