SCHEMBL6858211

SCHEMBL6858211

COC(=O)[C@@H]1C[C@@H](Oc2nc(-c3ccc(C(F)(F)F)cc3)nc3c2oc2ccccc23)CN1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.38
MAPT P10636 7/20 0.38
LMNA P02545 5/20 0.38
KMT2A Q03164 5/20 0.38
TSHR P16473 4/20 0.38
HSD17B10 Q99714 2/20 0.38
POLB P06746 2/20 0.38
USP2 O75604 1/20 0.38
HTT P42858 1/20 0.38
HPGD P15428 3/20 0.38
KDM4E B2RXH2 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
MEN1 O00255 4/20 0.37
GAA P10253 2/20 0.37
PIM1 P11309 1/20 0.36
CHEK2 O96017 2/20 0.34

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
SCHEMBL20305914 0.91 ALDH1A1 (0.46) ALDH1A1MAPTLMNAKMT2ATSHR
SCHEMBL6857750 0.90 ALDH1A1 (0.41) ALDH1A1MAPTLMNAKMT2ATSHR
SCHEMBL6858197 0.80 MAPT (0.37) ALDH1A1MAPTLMNAKMT2ATSHR
SCHEMBL2217859 0.77 CYP3A4 (0.38)
Hydrochloric Acid SCHEMBL2222269 0.77 CYP3A4 (0.38)
SCHEMBL7991122 0.76 MAPT (0.52) ALDH1A1MAPTLMNAKMT2ATSHR
SCHEMBL13617175 0.76 TSHR (0.42) ALDH1A1MAPTLMNAKMT2ATSHR
SCHEMBL13607505 0.75 MAPT (0.36) ALDH1A1MAPTLMNAKMT2ATSHR
SCHEMBL17805650 0.75 PIM1 (0.46) ALDH1A1MAPTLMNAKMT2ATSHR
SCHEMBL2219949 0.74 ALDH1A1 (0.40) ALDH1A1MAPTLMNAKMT2ATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2477980-B1 HCV PROTEASE INHIBITORS TAIGEN BIOTECHNOLOGY CO LTD (TW) 2016-06-08 EP disclosed
US-8389560-B2 HCV protease inhibitors TAIGEN BIOTECHNOLOGY CO., LTD. (TW) 2013-03-05 US disclosed
US-20110065737-A1 HCV PROTEASE INHIBITORS TAIGEN BIOTECHNOLOGY CO., LTD. (TW) 2011-03-17 US disclosed
US-20090286814-A1 HCV PROTEASE INHIBITORS TAIGEN BIOTECHNOLOGY CO., LTD. (TW) 2009-11-19 US disclosed
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 (2 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-20110065737-A1 HCV PROTEASE INHIBITORS RNASE1, HAVCR2, CTRL ALDH1A1 814/4885MAPT 3434/4885LMNA 4510/4885
US-20090286814-A1 HCV PROTEASE INHIBITORS HAVCR2, SPINT2, RNASE1 ALDH1A1 982/4885MAPT 3508/4885LMNA 4532/4885

“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.