SCHEMBL669322

SCHEMBL669322

COC(=O)c1sc(C#CC(C)(C)C)cc1NC1CCC2(CC1)OCCO2

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
CYP2E1 P05181 1/20 0.33
POLB P06746 1/20 0.33
RAF1 P04049 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
MAPK1 P28482 1/20 0.31
CYP2C19 P33261 1/20 0.31
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
KDM4E B2RXH2 1/20 0.30
HTT P42858 1/20 0.30
ATM Q13315 1/20 0.30
NR1I2 O75469 2/20 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
SCHEMBL2225280 0.90 CYP2E1 (0.39) ALDH1A1CYP2E1POLBRAB9ASMN1; SMN2
SCHEMBL2218006 0.90 RAF1 (0.34) CYP2E1RAF1RAB9ASMN1; SMN2KDM4E
SCHEMBL12444667 0.90 RAF1 (0.34) CYP2E1RAF1RAB9ASMN1; SMN2KDM4E
SCHEMBL12444669 0.90 RAF1 (0.34) CYP2E1RAF1RAB9ASMN1; SMN2KDM4E
SCHEMBL14669356 0.88 CYP2E1 (0.32) CYP2E1RAF1RAB9ASMN1; SMN2NR1I2
SCHEMBL669880 0.87 RAF1 (0.36) CYP2E1RAF1RAB9ASMN1; SMN2KDM4E
SCHEMBL1963295 0.86 CYP2E1 (0.39) CYP2E1RAF1RAB9ASMN1; SMN2KDM4E
SCHEMBL1960225 0.83 RAF1 (0.34) RAF1KDM4EHTTATMNR1I2
SCHEMBL1960222 0.83 RAF1 (0.34) RAF1KDM4EHTTATMNR1I2
SCHEMBL669498 0.82 NR1I2 (0.34) CYP2E1RAF1RAB9ASMN1; SMN2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2709613-B2 METHODS FOR TREATING HCV GILEAD PHARMASSET LLC (US) 2020-08-12 EP disclosed
EP-2709613-B2 METHODS FOR TREATING HCV GILEAD PHARMASSET LLC (US) 2020-08-12 EP disclosed
US-10456414-B2 Methods for treating HCV GILEAD PHARMASSET LLC (US) 2019-10-29 US disclosed
US-10456414-B2 Methods for treating HCV GILEAD PHARMASSET LLC (US) 2019-10-29 US disclosed
EP-2709613-B1 METHODS FOR TREATING HCV GILEAD PHARMASSET LLC (US) 2017-11-29 EP disclosed
EP-2709613-B1 METHODS FOR TREATING HCV GILEAD PHARMASSET LLC (US) 2017-11-29 EP disclosed
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
US-20170189439-A1 METHODS FOR TREATING HCV GILEAD SCIENCES, INC. 2017-07-06 US disclosed
US-20170189439-A1 METHODS FOR TREATING HCV GILEAD SCIENCES, INC. 2017-07-06 US disclosed
WO-2012087596-A1 COMBINATIONS FOR TREATING HCV GILEAD SCIENCES, INC. (US) 2012-06-28 WO disclosed
WO-2012087596-A1 COMBINATIONS FOR TREATING HCV GILEAD SCIENCES, INC. (US) 2012-06-28 WO disclosed
US-20120156166-A1 INHIBITORS OF FLAVIVIRIDAE VIRUSES GILEAD SCIENCES, INC. (US) 2012-06-21 US disclosed
WO-2012024363-A2 COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRIDAE VIRAL INFECTIONS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-02-23 WO 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
WO-2011068715-A1 5-ALKYNYL-THIOPHENE-2-CARBOXYLIC ACID DERIVATIVES AND THEIR USE FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-06-09 WO disclosed
WO-2011031669-A1 INHIBITORS OF FLAVIVIRIDAE VIRUSES GILEAD SCIENCES, INC. (US) 2011-03-17 WO disclosed
WO-2011031669-A1 INHIBITORS OF FLAVIVIRIDAE VIRUSES GILEAD SCIENCES, INC. (US) 2011-03-17 WO disclosed
US-20110020278-A1 INHIBITORS OF FLAVIVIRIDAE VIRUSES GILEAD SCIENCES, INC. (US) 2011-01-27 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 (5 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-20120156166-A1 INHIBITORS OF FLAVIVIRIDAE VIRUSES HAVCR2, CYP2F1, CYP4F3 ALDH1A1 462/4885CYP2E1 6/4885POLB 1584/4885
US-10456414-B2 Methods for treating HCV HAVCR2, HCCS, LIPC ALDH1A1 308/4885CYP2E1 834/4885POLB 2735/4885
US-20170189439-A1 METHODS FOR TREATING HCV HAVCR2, HCCS, LIPC ALDH1A1 308/4885CYP2E1 834/4885POLB 2735/4885
US-20110020278-A1 INHIBITORS OF FLAVIVIRIDAE VIRUSES HAVCR2, CYP2F1, CYP4F3 ALDH1A1 462/4885CYP2E1 6/4885POLB 1584/4885
US-20110178129-A1 INHIBITORS OF FLAVIVIRIDAE VIRUSES HAVCR2, CYP2F1, CYP4F3 ALDH1A1 462/4885CYP2E1 6/4885POLB 1584/4885

“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.