SCHEMBL10065865

SCHEMBL10065865

CN[C@H](Cc1c(F)c(F)c(F)c(F)c1F)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSS P25774 1/20 0.41
MMP2 P08253 2/20 0.37
MMP3 P08254 2/20 0.37
MMP1 P03956 1/20 0.37
FOLH1 Q04609 3/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
PKM P14618 1/20 0.32
OPRD1 P41143 1/20 0.32
KDM4E B2RXH2 1/20 0.31
MAPT P10636 1/20 0.31
THRB P10828 1/20 0.31
ALOX15 P16050 1/20 0.31
NFKB1 P19838 1/20 0.31
PTGS2 P35354 1/20 0.31
THPO P40225 1/20 0.31
RECQL P46063 1/20 0.31
BLM P54132 1/20 0.31
NAALAD2 Q9Y3Q0 2/20 0.31
ALDH1A1 P00352 1/20 0.31
PPARG P37231 1/20 0.30

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
SCHEMBL19790147 0.84 CTSS (0.38) CTSSMMP2MMP3MMP1SMN1; SMN2
SCHEMBL14898392 0.84 CTSS (0.38) CTSSMMP2MMP3MMP1SMN1; SMN2
SCHEMBL22290689 0.82 CTSS (0.39) CTSSMMP2MMP3MMP1FOLH1
SCHEMBL14949074 0.81 CTSS (0.37) CTSSMMP2MMP3MMP1SMN1; SMN2
SCHEMBL542549 0.80 CTSS (0.38) CTSSMMP2MMP3MMP1FOLH1
SCHEMBL542550 0.80 CTSS (0.38) CTSSMMP2MMP3MMP1FOLH1
SCHEMBL25908942 0.78 TAS1R3 (0.37) CTSSMMP2MMP3MMP1OPRD1
SCHEMBL29522638 0.78 ITGB2 (0.44) SMN1; SMN2
SCHEMBL695119 0.78 ITGB2 (0.44) SMN1; SMN2
SCHEMBL5803425 0.74 ACE (0.37) FOLH1ALDH1A1PPARG

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120071329-A1 METHODS FOR IDENTIFYING COMPOUNDS OF INTEREST USING ENCODED LIBRARIES GLAXOSMITHKLINE LLC (US) 2012-03-22 US disclosed
US-20110251089-A1 METHODS FOR SYNTHESIS OF ENCODED LIBRARIES GLAXOSMITHKLINE (US) 2011-10-13 US disclosed
US-7989395-B2 Methods for identifying compounds of interest using encoded libraries GLAXOSMITHKLINE LLC (US) 2011-08-02 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-20110251089-A1 METHODS FOR SYNTHESIS OF ENCODED LIBRARIES RNGTT, DTYMK, DUT CTSS 2488/4885MMP2 3605/4885MMP3 2314/4885

“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.