SCHEMBL15087272

SCHEMBL15087272

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

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 8/20 0.39
▸ TNF P01375 1/20 0.39
▸ CTSS P25774 4/20 0.37
▸ NAAA Q02083 2/20 0.37
▸ CTSB P07858 1/20 0.37
▸ SIRT2 Q8IXJ6 1/20 0.37
▸ SIRT1 Q96EB6 1/20 0.37
▸ PPARG P37231 1/20 0.37
▸ PPARA Q07869 1/20 0.37
▸ CTSK P43235 3/20 0.37
▸ ALDH1A1 P00352 1/20 0.36
▸ ALOX15 P16050 1/20 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
SCHEMBL15087270 1.00 CTSL (0.39) CTSLTNFCTSSNAAACTSB
SCHEMBL15087273 1.00 CTSL (0.39) CTSLTNFCTSSNAAACTSB
SCHEMBL15087268 0.94 CTSL (0.38) CTSLCTSSNAAACTSBCTSK
SCHEMBL15087266 0.94 CTSL (0.38) CTSLCTSSNAAACTSBCTSK
SCHEMBL15087265 0.94 CTSL (0.38) CTSLCTSSNAAACTSBCTSK
SCHEMBL15087227 0.90 TNF (0.41) CTSLTNFCTSSNAAACTSB
SCHEMBL15087230 0.90 TNF (0.41) CTSLTNFCTSSNAAACTSB
SCHEMBL15087229 0.90 TNF (0.41) CTSLTNFCTSSNAAACTSB
SCHEMBL15087257 0.88 TNF (0.42) CTSLTNFCTSSNAAACTSB
SCHEMBL15087253 0.88 TNF (0.42) CTSLTNFCTSSNAAACTSB

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 2599/4885TNF 3571/4885CTSS 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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