SCHEMBL16158925

SCHEMBL16158925

CC1[C@@H](OC[C@H](NC(=O)OC(C)(C)C)C(=O)OCc2ccccc2)OC(COCc2ccccc2)[C@@H](C)[C@@H]1C

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KLK7 P49862 6/20 0.51
▸ KLK5 Q9Y337 5/20 0.51
▸ PPARA Q07869 2/20 0.50
▸ PTPN1 P18031 5/20 0.49
▸ CDC25B P30305 5/20 0.49
▸ PTPN2 P17706 4/20 0.49
▸ CDC25A P30304 3/20 0.49
▸ PTPN6 P29350 1/20 0.49
▸ PTPN11 Q06124 1/20 0.49
▸ CTSS P25774 3/20 0.48
▸ PPARG P37231 1/20 0.46
▸ SYK P43405 1/20 0.43
▸ RAB9A P51151 1/20 0.41
▸ CACNA1B Q00975 2/20 0.40
▸ CTSL P07711 1/20 0.40
▸ CTSB P07858 1/20 0.40
▸ CTSK P43235 1/20 0.40

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
SCHEMBL16158881 1.00 KLK7 (0.51) KLK7KLK5PPARAPTPN1CDC25B
SCHEMBL16144930 0.85 PTPN1 (0.56) KLK7KLK5PPARAPTPN1CDC25B
SCHEMBL16144925 0.85 PTPN1 (0.56) KLK7KLK5PPARAPTPN1CDC25B
SCHEMBL10314154 0.84 PTPN1 (0.44) KLK7KLK5PPARAPTPN1CDC25B
SCHEMBL10314151 0.81 PTPN1 (0.44) KLK7KLK5PPARAPTPN1CDC25B
SCHEMBL17447104 0.81 KLK7 (0.45) KLK7KLK5PPARAPTPN1CDC25B
SCHEMBL7518373 0.80 PPARA (0.74) KLK7KLK5PPARACTSSPPARG
SCHEMBL19853661 0.80 PPARA (0.74) KLK7KLK5PPARACTSSPPARG
SCHEMBL10314148 0.76 PTPN1 (0.48) KLK7KLK5PPARAPTPN1CDC25B
SCHEMBL8138595 0.76 PPARA (0.60) KLK7KLK5PPARACTSSPPARG

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-9359394-B2 Stereoselective glycosylation reactions TRUSTEES OF TUFTS COLLEGE (US) 2016-06-07 — — US disclosed
US-20140303359-A1 Stereoselective Glycosylation Reactions TRUSTEES OF TUFTS COLLEGE (US) 2014-10-09 — — 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-20140303359-A1 Stereoselective Glycosylation Reactions UGGT1, ST6GAL1, FUT6 KLK7 699/4885KLK5 2734/4885PPARA 3554/4885

“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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