SCHEMBL2879041

SCHEMBL2879041

COC(=O)c1sc(-c2ccccc2)cc1NC(C)CO[Si](C)(C)C(C)(C)C

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 8/20 0.53
▸ MAPT P10636 7/20 0.53
▸ ALDH1A1 P00352 3/20 0.53
▸ LMNA P02545 2/20 0.53
▸ HPGD P15428 3/20 0.51
▸ HTT P42858 2/20 0.48
▸ ATM Q13315 1/20 0.48
▸ TP53 P04637 2/20 0.46
▸ POLB P06746 1/20 0.46
▸ NPSR1 Q6W5P4 5/20 0.46
▸ MAPK1 P28482 2/20 0.46
▸ GFER P55789 1/20 0.46
▸ CRHBP P24387 2/20 0.43
▸ CRHR2 Q13324 2/20 0.43
▸ MEN1 O00255 1/20 0.42
▸ PLA2G1B P04054 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ ATG4B Q9Y4P1 1/20 0.42

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
SCHEMBL4779360 0.85 MAPT (0.62) KDM4EMAPTALDH1A1LMNAHPGD
SCHEMBL2871252 0.81 MAPT (0.63) KDM4EMAPTALDH1A1LMNAHPGD
SCHEMBL14867141 0.81 KDM4E (0.52) KDM4EMAPTALDH1A1LMNAHPGD
SCHEMBL2157471 0.79 MAPT (0.69) KDM4EMAPTALDH1A1LMNAHPGD
SCHEMBL14030825 0.75 MAPT (0.55) KDM4EMAPTALDH1A1LMNAHPGD
SCHEMBL2157551 0.74 KDM4E (0.69) KDM4EMAPTALDH1A1LMNAHPGD
SCHEMBL2157496 0.73 MAPT (0.76) KDM4EMAPTALDH1A1LMNAHPGD
SCHEMBL14950518 0.71 PTPN1 (0.45) KDM4EMAPTALDH1A1LMNAHPGD
SCHEMBL14950514 0.71 PTPN1 (0.45) KDM4EMAPTALDH1A1LMNAHPGD
SCHEMBL2879296 0.71 POLB (0.61) KDM4EMAPTALDH1A1LMNAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8829030-B2 Compounds and methods for the treatment or prevention of Flavivirus infections VERTEX PHARMACEUTICALS (CANADA) INCORPORATED (CA) 2014-09-09 — — US disclosed
US-8829030-B2 Compounds and methods for the treatment or prevention of Flavivirus infections VERTEX PHARMACEUTICALS (CANADA) INCORPORATED (CA) 2014-09-09 — — US disclosed
US-20130096106-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS VERTEX PHARMACEUTICALS (CANADA) INCORPORATED (CA) 2013-04-18 — — US disclosed
US-20130096106-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS VERTEX PHARMACEUTICALS (CANADA) INCORPORATED (CA) 2013-04-18 — — US disclosed
US-8357718-B2 N-heterocyclyl- or cycloalkyl-N-(2-carboxy-5-aryl-3-thiophenyl)cycloalkanecarboxamides, e.g., 5-(3-fluorophenyl)-3-[isopropyl-(4-methylcyclohexanecarbonyl)amino]-thiophene-2-carboxylic acid; especially for prevention and treatment of HVC VERTEX PHARMACEUTICALS (CANADA) INCORPORATED (CA) 2013-01-22 — — US disclosed
US-8357718-B2 N-heterocyclyl- or cycloalkyl-N-(2-carboxy-5-aryl-3-thiophenyl)cycloalkanecarboxamides, e.g., 5-(3-fluorophenyl)-3-[isopropyl-(4-methylcyclohexanecarbonyl)amino]-thiophene-2-carboxylic acid; especially for prevention and treatment of HVC VERTEX PHARMACEUTICALS (CANADA) INCORPORATED (CA) 2013-01-22 — — US disclosed
EP-1569929-B9 COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS VIROCHEM PHARMA INC (CA) 2011-09-14 — — EP disclosed
EP-1569929-B1 COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS VIROCHEM PHARMA INC (CA) 2010-05-05 — — EP disclosed
US-20080269481-A1 Compounds and methods for the treatment or prevention of Flavivirus infections VIROCHEM PHARMA INC. (CA) 2008-10-30 — — US disclosed
US-20080269481-A1 Compounds and methods for the treatment or prevention of Flavivirus infections VIROCHEM PHARMA INC. (CA) 2008-10-30 — — US disclosed
CN-100413861-C Compounds and methods for the treatment or prevention of flavivirus infections VIROCHEM PHARMA INC (CA) 2008-08-27 — — CN disclosed
US-7402608-B2 Compounds and methods for the treatment or prevention of Flavivirus infections VIROCHEM PHARMA INC. (CA) 2008-07-22 — — US disclosed
US-7402608-B2 Compounds and methods for the treatment or prevention of Flavivirus infections VIROCHEM PHARMA INC. (CA) 2008-07-22 — — US disclosed
CN-1795190-A Compounds and methods for the treatment or prevention of flavivirus infections VIROCHEM PHARMA INC (CA) 2006-06-28 — — CN disclosed
EP-1569929-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF i FLAVIVIRUS /i INFECTIONS Virochem Pharma Inc. (CA) 2005-09-07 — — EP disclosed
US-20050009804-A1 Compounds and methods for the treatment or prevention of Flavivirus infections VERTEX PHARMACEUTICALS (CANADA) INCORPORATED (CA) 2005-01-13 — — US disclosed
WO-2004052885-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS VIROCHEM PHARMA INC. (CA) 2004-06-24 — — 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-20050009804-A1 Compounds and methods for the treatment or prevention of Flavivirus infections ZC3HAV1, ZYX, ZFX KDM4E 1505/4885MAPT 1641/4885ALDH1A1 1591/4885
US-20130096106-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS ZC3HAV1, ZYX, ZFX KDM4E 1505/4885MAPT 1641/4885ALDH1A1 1591/4885
US-20080269481-A1 Compounds and methods for the treatment or prevention of Flavivirus infections ZC3HAV1, ZYX, ZFX KDM4E 1505/4885MAPT 1641/4885ALDH1A1 1591/4885

“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.

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