SCHEMBL13617175

SCHEMBL13617175

CC(=O)N1C[C@H](Oc2nc(-c3ccc(C(F)(F)F)cc3)nc3c2oc2ccccc23)C[C@H]1C(N)=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.42
LMNA P02545 5/20 0.39
MAPT P10636 5/20 0.39
KMT2A Q03164 4/20 0.39
POLB P06746 2/20 0.39
HTT P42858 1/20 0.39
ALDH1A1 P00352 7/20 0.38
MEN1 O00255 3/20 0.38
KDM4E B2RXH2 2/20 0.38
HPGD P15428 3/20 0.37
HSD17B10 Q99714 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
SCN9A Q15858 4/20 0.36
FPR2 P25090 3/20 0.36
USP2 O75604 1/20 0.35
GAA P10253 2/20 0.34
SPHK2 Q9NRA0 1/20 0.33
SPHK1 Q9NYA1 1/20 0.33
CSNK2A2 P19784 1/20 0.33
CSNK2B P67870 1/20 0.33

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
SCHEMBL13617190 0.88 TSHR (0.38) TSHRLMNAMAPTKMT2APOLB
SCHEMBL2219949 0.84 ALDH1A1 (0.40) TSHRLMNAMAPTKMT2APOLB
SCHEMBL16747595 0.83 TSHR (0.37) TSHRLMNAMAPTKMT2APOLB
SCHEMBL6858197 0.83 MAPT (0.37) TSHRLMNAMAPTKMT2APOLB
SCHEMBL13607504 0.79 ALDH1A1 (0.38) TSHRLMNAMAPTKMT2APOLB
SCHEMBL13607505 0.78 MAPT (0.36) TSHRLMNAMAPTKMT2APOLB
SCHEMBL17805537 0.78 TSHR (0.33) TSHRMAPTALDH1A1KDM4EHPGD
SCHEMBL17805519 0.77
SCHEMBL17805556 0.77 TSHR (0.32) TSHR
SCHEMBL13607510 0.77 TSHR (0.32) TSHR

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-20090286814-A1 HCV PROTEASE INHIBITORS TAIGEN BIOTECHNOLOGY CO., LTD. (TW) 2009-11-19 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-20090286814-A1 HCV PROTEASE INHIBITORS HAVCR2, SPINT2, RNASE1 TSHR 3574/4885LMNA 4532/4885MAPT 3508/4885

“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.