SCHEMBL14944651

SCHEMBL14944651

CC(C)C(NC(=O)OCc1ccccc1)C(=O)OCC(O)C(O)C1OC(O)(C(=O)OCc2ccccc2)CC(O)C1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CASP1 P29466 1/20 0.43
▸ CASP3 P42574 1/20 0.43
▸ CASP7 P55210 1/20 0.43
▸ CASP6 P55212 1/20 0.43
▸ CASP8 Q14790 1/20 0.43
▸ CAPN1 P07384 3/20 0.42
▸ CCR1 P32246 2/20 0.41
▸ CTSB P07858 4/20 0.41
▸ CTSK P43235 4/20 0.41
▸ CTSS P25774 3/20 0.41
▸ MEN1 O00255 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ CTSL P07711 3/20 0.39
▸ CYP3A4 P08684 3/20 0.38
▸ CYP2C9 P11712 3/20 0.38
▸ TSHR P16473 3/20 0.38
▸ LMNA P02545 2/20 0.38
▸ CYP2C19 P33261 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ CA2 P00918 1/20 0.38

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
SCHEMBL14902867 0.89 NANP (0.44) CASP1CASP3CASP7CASP6CASP8
SCHEMBL14944652 0.82 L3MBTL1 (0.47) CYP3A4CYP2C9CYP2C19ALDH1A1CYP1A2
SCHEMBL3732500 0.72 CTSL (0.57) CASP1CASP3CASP7CASP6CASP8
SCHEMBL31500844 0.71 MAG (0.52) —
SCHEMBL21914166 0.71 L3MBTL1 (0.41) CASP1MEN1KMT2ACYP3A4CYP2C9
SCHEMBL25702221 0.71 MAG (0.52) —
SCHEMBL30481193 0.71 MAG (0.52) —
SCHEMBL21914165 0.71 L3MBTL1 (0.41) CASP1MEN1KMT2ACYP3A4CYP2C9
SCHEMBL14946228 0.71 MAG (0.52) —
SCHEMBL27977966 0.71 MAG (0.52) —

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-20160297846-A1 SIALIC ACID ANALOGS ULTRAGENYX PHARMACEUTICAL INC. (US) 2016-10-13 — — US disclosed
US-9221858-B2 Sialic acid analogs ULTRAGENYX PHARMACEUTICAL INC. (US) 2015-12-29 — — US disclosed
US-20150038693-A1 SIALIC ACID ANALOGS ULTRAGENYX PHARMACEUTICAL INC. (US) 2015-02-05 — — US disclosed
US-8840926-B2 Sialic acid analogs ULTRAGENYX PHARMACEUTICAL INC. (US) 2014-09-23 — — US disclosed
US-20130122094-A1 SIALIC ACID ANALOGS ULTRAGENYX PHARMACEUTICAL, INC. (US) 2013-05-16 — — 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 (3 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-20160297846-A1 SIALIC ACID ANALOGS NEU1, NEU2, NEU3 CASP1 4712/4885CASP3 4746/4885CASP7 4649/4885
US-20130122094-A1 SIALIC ACID ANALOGS NEU1, NEU2, NEU3 CASP1 4712/4885CASP3 4746/4885CASP7 4649/4885
US-20150038693-A1 SIALIC ACID ANALOGS NEU1, NEU2, NEU3 CASP1 4712/4885CASP3 4746/4885CASP7 4649/4885

“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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