SCHEMBL17484921

SCHEMBL17484921

CO[C@@H]1OC(C(=O)NCCC(C)C)[C@@H](O)[C@H](O)[C@@H]1O

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 1/20 0.41
▸ CAPN1 P07384 9/20 0.39
▸ CTSB P07858 2/20 0.39
▸ CAPN9 O14815 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ CTSL P07711 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ CTSG P08311 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.35
▸ CA1 P00915 3/20 0.34
▸ CA2 P00918 3/20 0.34
▸ CA9 Q16790 3/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ GAA P10253 1/20 0.34

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
SCHEMBL19276640 0.89 ADORA3 (0.37) ADORA3CAPN1CTSBCAPN9MAPK1
SCHEMBL27325818 0.82 CA1 (0.35) ADORA3CA1CA2CA9
SCHEMBL12110848 0.82 ADORA3 (0.43) ADORA3CAPN1CTSBCAPN9MAPK1
SCHEMBL18971275 0.80 ADORA2A (0.40) ADORA3MAPK1CA1CA2CA9
SCHEMBL18971276 0.80 ADORA2A (0.40) ADORA3MAPK1CA1CA2CA9
SCHEMBL18971706 0.80 ADORA2A (0.40) ADORA3MAPK1CA1CA2CA9
SCHEMBL5763778 0.79 ADORA2A (0.41) ADORA3MAPK1
SCHEMBL4380400 0.79 ADORA2A (0.41) ADORA3MAPK1
SCHEMBL5742266 0.79 ADORA2A (0.41) ADORA3MAPK1
SCHEMBL5413280 0.79 ADORA2A (0.41) ADORA3MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160030360-A1 MODIFIED ALGINATES FOR ANTI-FIBROTIC MATERIALS AND APPLICATIONS US ARMY, SECRETARY OF THE ARMY 2016-02-04 — — 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-20160030360-A1 MODIFIED ALGINATES FOR ANTI-FIBROTIC MATERIALS AND APPLICATIONS ALG1, FIBP, COL2A1 ADORA3 2630/4885CAPN1 1688/4885CTSB 1661/4885

“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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