SCHEMBL15087252

SCHEMBL15087252

CCOC(=O)[C@@H](CC(F)(F)[C@H]1O[C@H](CC)[C@H](C)[C@H](OCc2ccccc2)[C@H]1O)NC(=O)OCc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 6/20 0.38
▸ CTSS P25774 4/20 0.38
▸ CTSB P07858 2/20 0.38
▸ TNF P01375 1/20 0.38
▸ CASP1 P29466 2/20 0.38
▸ CASP3 P42574 2/20 0.38
▸ CASP7 P55210 2/20 0.38
▸ CASP6 P55212 2/20 0.38
▸ CASP8 Q14790 2/20 0.38
▸ SIRT2 Q8IXJ6 1/20 0.37
▸ SIRT1 Q96EB6 1/20 0.37
▸ CTSK P43235 4/20 0.37
▸ NAAA Q02083 2/20 0.36

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
SCHEMBL15087251 1.00 CTSL (0.38) CTSLCTSSCTSBTNFCASP1
SCHEMBL15087254 1.00 CTSL (0.38) CTSLCTSSCTSBTNFCASP1
SCHEMBL15087253 0.93 TNF (0.42) CTSLCTSSCTSBTNFCASP1
SCHEMBL15087255 0.93 TNF (0.42) CTSLCTSSCTSBTNFCASP1
SCHEMBL15087224 0.93 CTSL (0.39) CTSLCTSSCTSBTNFCASP1
SCHEMBL15087257 0.93 TNF (0.42) CTSLCTSSCTSBTNFCASP1
SCHEMBL15087232 0.93 CTSL (0.39) CTSLCTSSCTSBTNFCASP1
SCHEMBL15087228 0.93 CTSL (0.39) CTSLCTSSCTSBTNFCASP1
SCHEMBL15087231 0.93 CTSL (0.39) CTSLCTSSCTSBTNFCASP1
SCHEMBL15087237 0.89 CTSL (0.37) CTSLCTSSCTSBTNFCTSK

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-9175044-B2 Derivatives of glyco-CF2-serine and glyco-CF2-threonine TFCHEM (FR) 2015-11-03 — — US disclosed
US-20130171180-A1 DERIVATIVES OF GLYCO-CF2-SERINE AND GLYCO-CF2-THREONINE TFCHEM (FR) 2013-07-04 — — 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-20130171180-A1 DERIVATIVES OF GLYCO-CF2-SERINE AND GLYCO-CF2-THREONINE PTMS, SLC5A2, INF2 CTSL 2599/4885CTSS 2770/4885CTSB 2856/4885

“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.

Send feedback