SCHEMBL13256301

SCHEMBL13256301

O=C(CCCCCNC(=O)CN(CC(=O)NCCCCCC(=O)NCCO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)C(=O)CNC(=O)OCc1ccccc1)NCCO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP13 P45452 1/20 0.44
▸ MAOB P27338 1/20 0.39
▸ FGF1 P05230 4/20 0.39
▸ SIRT2 Q8IXJ6 2/20 0.39
▸ FGF2 P09038 1/20 0.39
▸ HTT P42858 1/20 0.38
▸ LGALS8 O00214 1/20 0.38
▸ VEGFA P15692 2/20 0.37
▸ SLC5A1 P13866 1/20 0.37
▸ SLC5A2 P31639 1/20 0.37
▸ TGM2 P21980 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ HDAC3 O15379 1/20 0.36
▸ HDAC4 P56524 1/20 0.36
▸ HDAC1 Q13547 1/20 0.36
▸ HDAC7 Q8WUI4 1/20 0.36
▸ HDAC2 Q92769 1/20 0.36
▸ HDAC10 Q969S8 1/20 0.36
▸ HDAC11 Q96DB2 1/20 0.36

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
SCHEMBL17109659 1.00 MMP13 (0.44) MMP13MAOBFGF1SIRT2FGF2
SCHEMBL30891325 0.91 HTT (0.46) MMP13MAOBSIRT2HTTLGALS8
SCHEMBL30391620 0.91 HTT (0.46) MMP13MAOBSIRT2HTTLGALS8
SCHEMBL30391887 0.89 MMP13 (0.45) MMP13MAOBSIRT2HTTLGALS8
SCHEMBL29454879 0.89 MMP13 (0.41) MMP13MAOBFGF1FGF2HTT
SCHEMBL30391867 0.88 LMNA (0.43) MMP13MAOBHTTLGALS8TGM2
SCHEMBL30661931 0.85 MMP13 (0.40) MMP13MAOBSIRT2HTTLGALS8
SCHEMBL30891318 0.85 MMP13 (0.40) MMP13MAOBSIRT2HTTLGALS8
SCHEMBL30391875 0.85 MMP13 (0.43) MMP13MAOBFGF1SIRT2FGF2
SCHEMBL25243911 0.85 MMP13 (0.44) MMP13MAOBLGALS8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10398781-B2 Conjugate based systems for controlled drug delivery SMARTCELLS, INC. (US) 2019-09-03 — — US disclosed
US-20180064824-A1 CONJUGATE BASED SYSTEMS FOR CONTROLLED DRUG DELIVERY MERCK SHARP & DOHME CORP. (US) 2018-03-08 — — US disclosed
US-9579391-B2 Conjugate based systems for controlled drug delivery SMARTCELLS, INC. (US) 2017-02-28 — — US disclosed
US-20160193351-A1 CONJUGATE BASED SYSTEMS FOR CONTROLLED DRUG DELIVERY SMARTCELLS, INC. (US) 2016-07-07 — — US disclosed
US-9265838-B2 Conjugate based systems for controlled drug delivery SMART CELLS, INC. (US) 2016-02-23 — — US disclosed
US-20150265717-A1 CONJUGATE BASED SYSTEMS FOR CONTROLLED DRUG DELIVERY SMARTCELLS, INC. (US) 2015-09-24 — — US disclosed
US-9050370-B2 Conjugate based systems for controlled drug delivery SMARTCELLS, INC. (US) 2015-06-09 — — US disclosed
US-20140274888-A1 CONJUGATE BASED SYSTEMS FOR CONTROLLED DRUG DELIVERY SMARTCELLS, INC. (US) 2014-09-18 — — US disclosed
US-20110301083-A1 CONJUGATE BASED SYSTEMS FOR CONTROLLED DRUG DELIVERY SMARTCELLS, INC. 2011-12-08 — — US disclosed
WO-2010088294-A1 CONJUGATE BASED SYSTEMS FOR CONTROLLED DRUG DELIVERY SMARTCELLS, INC. (US) 2010-08-05 — — WO 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 (6 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-10398781-B2 Conjugate based systems for controlled drug delivery SI, CSGALNACT1, CD44 MMP13 707/4885MAOB 1722/4885FGF1 1398/4885
US-20110301083-A1 CONJUGATE BASED SYSTEMS FOR CONTROLLED DRUG DELIVERY SI, CSGALNACT1, CD44 MMP13 707/4885MAOB 1722/4885FGF1 1398/4885
US-20140274888-A1 CONJUGATE BASED SYSTEMS FOR CONTROLLED DRUG DELIVERY SI, CSGALNACT1, CD44 MMP13 707/4885MAOB 1722/4885FGF1 1398/4885
US-20180064824-A1 CONJUGATE BASED SYSTEMS FOR CONTROLLED DRUG DELIVERY SI, CSGALNACT1, CD44 MMP13 707/4885MAOB 1722/4885FGF1 1398/4885
US-20160193351-A1 CONJUGATE BASED SYSTEMS FOR CONTROLLED DRUG DELIVERY SI, CSGALNACT1, CD44 MMP13 707/4885MAOB 1722/4885FGF1 1398/4885
US-20150265717-A1 CONJUGATE BASED SYSTEMS FOR CONTROLLED DRUG DELIVERY SI, CSGALNACT1, CD44 MMP13 707/4885MAOB 1722/4885FGF1 1398/4885

“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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