SCHEMBL2874299

SCHEMBL2874299

CCOC(=O)[C@H](CSSCC(N)C(=O)O)NC(=O)OCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 3/20 0.47
PPARG P37231 1/20 0.47
CTSK P43235 6/20 0.46
CTSL P07711 4/20 0.46
CTSS P25774 4/20 0.46
CTSB P07858 2/20 0.46
SLC1A3 P43003 1/20 0.46
SLC1A1 P43005 1/20 0.46
ALDH1A1 P00352 1/20 0.45
ALOX15 P16050 1/20 0.45
KYNU Q16719 1/20 0.44

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
SCHEMBL11288175 0.91 KYNU (0.54) PPARAPPARGCTSKCTSLCTSS
SCHEMBL11414810 0.89 PPARA (0.58) PPARAPPARGCTSKCTSLCTSS
SCHEMBL28895580 0.89 PPARA (0.58) PPARAPPARGCTSKCTSLCTSS
SCHEMBL28114399 0.89 PPARA (0.58) PPARAPPARGCTSKCTSLCTSS
SCHEMBL2748833 0.83 PPARA (0.61) PPARAPPARGCTSKCTSLCTSS
SCHEMBL6840852 0.81 KYNU (0.62) PPARAPPARGCTSKCTSLCTSS
SCHEMBL6840850 0.81 KYNU (0.62) PPARAPPARGCTSKCTSLCTSS
SCHEMBL6835795 0.81 PPARA (0.65) PPARAPPARGCTSKCTSLCTSS
SCHEMBL2748240 0.81 PPARA (0.65) PPARAPPARGCTSKCTSLCTSS
SCHEMBL6835796 0.81 PPARA (0.65) PPARAPPARGCTSKCTSLCTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8586020-B2 Poly(organophosphazene) composition for biomaterials KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2013-11-19 US disclosed
US-20130004455-A1 POLY(ORGANOPHOSPHAZENE) COMPOSITION FOR BIOMATERIALS KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2013-01-03 US disclosed
EP-2540764-A2 Poly(organophosphazene) composition for biomaterials Korea Institute of Science and Technology (KR) 2013-01-02 EP disclosed
US-8313771-B2 Phosphazene hydrogels with chemical corss-link, preparation method thereof and use thereof KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2012-11-20 US disclosed
US-20100297155-A1 PHOSPHAZENE HYDROGELS WITH CHEMICAL CORSS-LINK, PREPARATION METHOD THEREOF AND USE THEREOF DECA ITALIA S.R.L. (IT) 2010-11-25 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-20130004455-A1 POLY(ORGANOPHOSPHAZENE) COMPOSITION FOR BIOMATERIALS PHOSPHO1, PGLS, PHYKPL PPARA 3231/4885PPARG 3399/4885CTSK 1857/4885
US-20100297155-A1 PHOSPHAZENE HYDROGELS WITH CHEMICAL CORSS-LINK, PREPARATION METHOD THEREOF AND USE THEREOF PRUNE1, PHYKPL, PAPSS1 PPARA 2988/4885PPARG 2938/4885CTSK 914/4885

“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.