SCHEMBL2218876

SCHEMBL2218876

COC(=O)c1sc(C#CC(C)(C)C)cc1N(N)C(=O)OC(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 2/20 0.33
CYP2E1 P05181 1/20 0.33
MAPT P10636 2/20 0.31
TSHR P16473 1/20 0.31
KMT2A Q03164 1/20 0.31
HSD17B10 Q99714 1/20 0.31
KDM4E B2RXH2 1/20 0.30
NPC1 O15118 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
SCHEMBL12514556 0.82 RAF1 (0.44) MAPT
SCHEMBL101448 0.76 KDM4E (0.45) MAPTTSHRKMT2AHSD17B10KDM4E
SCHEMBL101454 0.75 RAF1 (0.39) MAPTKDM4E
SCHEMBL10206102 0.74 SMN1; SMN2 (0.39) MAPTTSHRKMT2AHSD17B10KDM4E
SCHEMBL324394 0.73 HSD17B10 (0.35) NR1I2MAPTTSHRKMT2AHSD17B10
SCHEMBL10264822 0.73 TSHR (0.35) NR1I2CYP2E1MAPTTSHRKMT2A
SCHEMBL325928 0.73 MAPT (0.35) NR1I2MAPTTSHRKMT2AHSD17B10
SCHEMBL2217262 0.72 RAF1 (0.35) MAPTKDM4E
SCHEMBL671680 0.71 CYP2E1 (0.57) NR1I2CYP2E1
SCHEMBL671679 0.71 CYP2E1 (0.57) NR1I2CYP2E1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2523951-B1 INHIBITORS OF FLAVIVIRIDAE VIRUSES GILEAD SCIENCES INC (US) 2015-04-22 EP 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-8884030-B2 Inhibitors of Flaviviridae viruses GILEAD SCIENCES, INC. (US) 2014-11-11 US disclosed
US-20130323203-A1 INHIBITORS OF FLAVIVIRIDAE VIRUSES GILEAD SCIENCES, INC. (US) 2013-12-05 US disclosed
US-8524764-B2 Inhibitors of Flaviviridae viruses GILEAD SCIENCES, INC. (US) 2013-09-03 US disclosed
US-8524764-B2 Inhibitors of Flaviviridae viruses GILEAD SCIENCES, INC. (US) 2013-09-03 US disclosed
US-8524764-B2 Inhibitors of Flaviviridae viruses GILEAD SCIENCES, INC. (US) 2013-09-03 US disclosed
EP-2523951-A1 INHIBITORS OF FLAVIVIRIDAE VIRUSES Gilead Sciences, Inc. (US) 2012-11-21 EP 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-2011088303-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

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-20130323203-A1 INHIBITORS OF FLAVIVIRIDAE VIRUSES HAVCR2, CYP2F1, CYP4F3 NR1I2 88/4885CYP2E1 6/4885MAPT 2889/4885
US-20110178058-A1 INHIBITORS OF FLAVIVIRIDAE VIRUSES HAVCR2, CYP2F1, CYP4F3 NR1I2 88/4885CYP2E1 6/4885MAPT 2889/4885

“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.