SCHEMBL2547952

SCHEMBL2547952

CC(C)(C)OC(=O)N1[C@H]([C@H](CS(C)(=O)=O)c2ccc(C(F)(F)F)cc2)COS1(=O)=O

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.37
NR1H3 Q13133 1/20 0.37
MAPT P10636 1/20 0.36
TACR1 P25103 6/20 0.35
MMP13 P45452 1/20 0.35
TGFBR1 P36897 1/20 0.34
NOD2 Q9HC29 1/20 0.33
NOD1 Q9Y239 1/20 0.33
GPR119 Q8TDV5 2/20 0.33
POLB P06746 1/20 0.33
STS P08842 1/20 0.32
HSD11B1 P28845 1/20 0.32
MCHR1 Q99705 1/20 0.32
GHSR Q92847 1/20 0.32

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
SCHEMBL2542955 1.00 NR1H2 (0.37) NR1H2NR1H3MAPTTACR1MMP13
SCHEMBL2549021 0.87 HSD11B1 (0.35) HSD11B1MCHR1
SCHEMBL2541261 0.85 MAPT (0.34) NR1H2NR1H3MAPTTACR1MMP13
SCHEMBL2549214 0.85 MAPT (0.34) NR1H2NR1H3MAPTTACR1MMP13
SCHEMBL12241626 0.83 NR1H2 (0.39) NR1H2NR1H3MAPTTACR1MMP13
SCHEMBL1743663 0.83 NR1H2 (0.39) NR1H2NR1H3MAPTTACR1MMP13
SCHEMBL9922013 0.83 NR1H2 (0.39) NR1H2NR1H3MAPTTACR1MMP13
SCHEMBL12706284 0.78 GPR119 (0.35) NR1H2NR1H3MAPTTACR1MMP13
SCHEMBL1595353 0.78 GPR119 (0.35) NR1H2NR1H3MAPTTACR1MMP13
SCHEMBL1519808 0.76 CETP (0.41) MAPTTACR1TGFBR1NOD2NOD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110263647-A1 FLUOROISOQUINOLINE SUBSTITUTED THIAZOLE COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2011-10-27 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-20110263647-A1 FLUOROISOQUINOLINE SUBSTITUTED THIAZOLE COMPOUNDS AND METHODS OF USE TFEB, PCK2, JAK2 NR1H2 895/4885NR1H3 1119/4885MAPT 2794/4885

“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.