SCHEMBL15087253

SCHEMBL15087253

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

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TNF P01375 1/20 0.42
▸ CTSL P07711 5/20 0.39
▸ CTSS P25774 4/20 0.39
▸ CTSB P07858 2/20 0.39
▸ PPARA Q07869 3/20 0.39
▸ PPARG P37231 1/20 0.39
▸ CASP1 P29466 2/20 0.39
▸ CASP3 P42574 2/20 0.39
▸ CASP7 P55210 2/20 0.39
▸ CASP6 P55212 2/20 0.39
▸ CASP8 Q14790 2/20 0.39
▸ IDO1 P14902 1/20 0.38
▸ TDO2 P48775 1/20 0.38
▸ CTSK P43235 4/20 0.38
▸ ITGB3 P05106 1/20 0.38
▸ ITGA2B P08514 1/20 0.38
▸ NAAA Q02083 2/20 0.38
▸ SIRT2 Q8IXJ6 1/20 0.37
▸ SIRT1 Q96EB6 1/20 0.37

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
SCHEMBL15087255 1.00 TNF (0.42) TNFCTSLCTSSCTSBPPARA
SCHEMBL15087257 1.00 TNF (0.42) TNFCTSLCTSSCTSBPPARA
SCHEMBL15087251 0.93 CTSL (0.38) TNFCTSLCTSSCTSBCASP1
SCHEMBL15087254 0.93 CTSL (0.38) TNFCTSLCTSSCTSBCASP1
SCHEMBL15087252 0.93 CTSL (0.38) TNFCTSLCTSSCTSBCASP1
SCHEMBL15087229 0.93 TNF (0.41) TNFCTSLCTSSCTSBPPARA
SCHEMBL15087230 0.93 TNF (0.41) TNFCTSLCTSSCTSBPPARA
SCHEMBL15087227 0.93 TNF (0.41) TNFCTSLCTSSCTSBPPARA
SCHEMBL15087246 0.89 TNF (0.40) TNFCTSLCTSSCTSBPPARA
SCHEMBL15087240 0.89 TNF (0.40) TNFCTSLCTSSCTSBPPARA

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 TNF 3571/4885CTSL 2599/4885CTSS 2770/4885

“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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