SCHEMBL937909

SCHEMBL937909

CCOC(=O)c1ccc(C#CC(C)(C)C)s1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.52
HDAC4 P56524 1/20 0.52
HDAC1 Q13547 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
L3MBTL1 Q9Y468 6/20 0.50
KMT2A Q03164 1/20 0.43
ALDH1A1 P00352 2/20 0.43
ERN1 O75460 1/20 0.40
CYP1A2 P05177 1/20 0.40
POLB P06746 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HPGD P15428 2/20 0.39
KDM4E B2RXH2 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
TSHR P16473 2/20 0.39

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
SCHEMBL1076318 0.83 L3MBTL1 (0.54) L3MBTL1KMT2AALDH1A1CYP1A2POLB
SCHEMBL19737208 0.81 HDAC3 (0.50) HDAC3HDAC4HDAC1HDAC6L3MBTL1
SCHEMBL1277573 0.79 HDAC3 (0.49) HDAC3HDAC4HDAC1HDAC6L3MBTL1
SCHEMBL5869100 0.78 HDAC3 (0.54) HDAC3HDAC4HDAC1HDAC6L3MBTL1
SCHEMBL8667051 0.78 HDAC3 (0.54) HDAC3HDAC4HDAC1HDAC6L3MBTL1
SCHEMBL20772930 0.78 HDAC3 (0.48) HDAC3HDAC4HDAC1HDAC6L3MBTL1
SCHEMBL432505 0.78 L3MBTL1 (0.58) L3MBTL1KMT2AALDH1A1CYP1A2POLB
SCHEMBL7018973 0.77 HDAC3 (0.73) HDAC3HDAC4HDAC1HDAC6L3MBTL1
SCHEMBL24516540 0.77 HDAC3 (0.44) HDAC3HDAC4HDAC1HDAC6L3MBTL1
SCHEMBL20772053 0.76 HDAC3 (0.46) HDAC3HDAC4HDAC1HDAC6L3MBTL1

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 40 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3219713-A1 INHIBITORS OF FLAVIVIRIDAE VIRUSES Gilead Sciences, Inc. (US) 2017-09-20 EP disclosed
EP-3219713-A1 INHIBITORS OF FLAVIVIRIDAE VIRUSES Gilead Sciences, Inc. (US) 2017-09-20 EP disclosed
EP-2523950-B1 INHIBITORS OF FLAVIVIRIDAE VIRUSES GILEAD SCIENCES INC (US) 2017-03-15 EP disclosed
EP-2523950-B1 INHIBITORS OF FLAVIVIRIDAE VIRUSES GILEAD SCIENCES INC (US) 2017-03-15 EP disclosed
US-9321753-B2 Inhibitors of Flaviviridae viruses GILEAD SCIENCES, INC. (US) 2016-04-26 US disclosed
US-9321753-B2 Inhibitors of Flaviviridae viruses GILEAD SCIENCES, INC. (US) 2016-04-26 US disclosed
US-9321753-B2 Inhibitors of Flaviviridae viruses GILEAD SCIENCES, INC. (US) 2016-04-26 US disclosed
EP-2523951-B1 INHIBITORS OF FLAVIVIRIDAE VIRUSES GILEAD SCIENCES INC (US) 2015-04-22 EP disclosed
US-8884030-B2 Inhibitors of Flaviviridae viruses GILEAD SCIENCES, INC. (US) 2014-11-11 US disclosed
US-8884030-B2 Inhibitors of Flaviviridae viruses GILEAD SCIENCES, INC. (US) 2014-11-11 US disclosed
US-20110178129-A1 INHIBITORS OF FLAVIVIRIDAE VIRUSES GILEAD SCIENCES, INC. (US) 2011-07-21 US disclosed
US-20110178129-A1 INHIBITORS OF FLAVIVIRIDAE VIRUSES GILEAD SCIENCES, INC. (US) 2011-07-21 US disclosed
US-20110178058-A1 INHIBITORS OF FLAVIVIRIDAE VIRUSES GILEAD SCIENCES, INC. (US) 2011-07-21 US disclosed
US-20110178058-A1 INHIBITORS OF FLAVIVIRIDAE VIRUSES GILEAD SCIENCES, INC. (US) 2011-07-21 US disclosed
WO-2011088345-A1 INHIBITORS OF FLAVIVIRIDAE VIRUSES GILEAD SCIENCES, INC. (US) 2011-07-21 WO disclosed
WO-2011088303-A1 INHIBITORS OF FLAVIVIRIDAE VIRUSES GILEAD SCIENCES , INC. (US) 2011-07-21 WO disclosed
US-20110020278-A1 INHIBITORS OF FLAVIVIRIDAE VIRUSES GILEAD SCIENCES, INC. (US) 2011-01-27 US disclosed
US-20110020278-A1 INHIBITORS OF FLAVIVIRIDAE VIRUSES GILEAD SCIENCES, INC. (US) 2011-01-27 US disclosed
WO-2011011303-A1 INHIBITORS OF FLAVIVIRIDAE VIRUSES GILEAD SCIENCES, INC. (US) 2011-01-27 WO disclosed
WO-2011011303-A1 INHIBITORS OF FLAVIVIRIDAE VIRUSES GILEAD SCIENCES, INC. (US) 2011-01-27 WO 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 (3 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-20110178058-A1 INHIBITORS OF FLAVIVIRIDAE VIRUSES HAVCR2, CYP2F1, CYP4F3 HDAC3 993/4885HDAC4 2414/4885HDAC1 1331/4885
US-20110020278-A1 INHIBITORS OF FLAVIVIRIDAE VIRUSES HAVCR2, CYP2F1, CYP4F3 HDAC3 993/4885HDAC4 2414/4885HDAC1 1331/4885
US-20110178129-A1 INHIBITORS OF FLAVIVIRIDAE VIRUSES HAVCR2, CYP2F1, CYP4F3 HDAC3 993/4885HDAC4 2414/4885HDAC1 1331/4885

“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.