SCHEMBL18218366

SCHEMBL18218366

CCOC(=O)C1O[C@@H](OCC)[C@@H](O)[C@@H](O)[C@@H]1OCCO[C@@H]1OC(C(=O)NC)[C@@H](OC(C)C)[C@H](O)[C@@H]1O

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CAPN1 P07384 2/20 0.31
▸ TSHR P16473 1/20 0.30
▸ CTSL P07711 2/20 0.30
▸ LMNA P02545 1/20 0.30
▸ CTSB P07858 1/20 0.30
▸ CTSG P08311 1/20 0.30
▸ HSP90B1 P14625 1/20 0.30

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
SCHEMBL14212361 0.96 CAPN1 (0.31) CAPN1TSHRCTSLLMNACTSB
SCHEMBL19220858 0.96 CAPN1 (0.31) CAPN1TSHRCTSLLMNACTSB
SCHEMBL19220866 0.96 CAPN1 (0.31) CAPN1TSHRCTSLLMNACTSB
SCHEMBL19276559 0.84 ADORA3 (0.34) TSHRHSP90B1
SCHEMBL19276557 0.84 ADORA3 (0.34) TSHRHSP90B1
SCHEMBL19276558 0.84 ADORA3 (0.34) TSHRHSP90B1
SCHEMBL14212364 0.77 ADORA3 (0.33) TSHRLMNAHSP90B1
SCHEMBL19220862 0.77 ADORA3 (0.33) TSHRLMNAHSP90B1
SCHEMBL19220863 0.77 ADORA3 (0.33) TSHRLMNAHSP90B1
SCHEMBL14212357 0.75 — —

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-20160324793-A1 MODIFIED ALGINATES FOR CELL ENCAPSULATION AND CELL THERAPY MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2016-11-10 — — 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-20160324793-A1 MODIFIED ALGINATES FOR CELL ENCAPSULATION AND CELL THERAPY ALG1, CD44, CD47 CAPN1 676/4885TSHR 4751/4885CTSL 3112/4885

“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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