SCHEMBL2881540

SCHEMBL2881540

COC(=O)c1sc(-c2ccccc2)cc1N(C(=O)c1ccc(Cl)cc1Cl)N(C)C

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.48
▸ TP53 P04637 1/20 0.48
▸ KDM4E B2RXH2 6/20 0.47
▸ NPSR1 Q6W5P4 2/20 0.47
▸ NPC1 O15118 1/20 0.46
▸ CASP3 P42574 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ SENP8 Q96LD8 1/20 0.46
▸ SENP7 Q9BQF6 1/20 0.46
▸ SENP6 Q9GZR1 1/20 0.46
▸ ALDH1A1 P00352 3/20 0.45
▸ LMNA P02545 1/20 0.45
▸ HPGD P15428 3/20 0.43
▸ KMT2A Q03164 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ HTT P42858 1/20 0.41
▸ ATM Q13315 1/20 0.41

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
SCHEMBL2878706 0.89 CYP1A2 (0.41) KDM4ENPSR1
SCHEMBL2157800 0.86 MAPT (0.48) MAPTTP53KDM4ENPSR1NPC1
SCHEMBL2157449 0.85 MAPT (0.48) MAPTTP53KDM4ENPSR1NPC1
SCHEMBL2158238 0.85 MAPT (0.50) MAPTTP53KDM4ENPSR1NPC1
SCHEMBL2157606 0.83 MAPT (0.46) MAPTTP53KDM4ENPSR1NPC1
SCHEMBL4732229 0.81 MAPT (0.46) MAPTTP53KDM4ENPSR1NPC1
SCHEMBL2158219 0.78 ACLY (0.45) —
SCHEMBL2158389 0.77 KDM4E (0.73) MAPTTP53KDM4ENPSR1ALDH1A1
SCHEMBL3134583 0.76 MAPT (0.40) MAPTTP53KDM4ENPSR1NPC1
SCHEMBL4732198 0.75 MAPT (0.48) MAPTTP53KDM4ENPSR1NPC1

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-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-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
US-20080269481-A1 Compounds and methods for the treatment or prevention of Flavivirus infections VIROCHEM PHARMA INC. (CA) 2008-10-30 — — 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
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
US-20050009804-A1 Compounds and methods for the treatment or prevention of Flavivirus infections VERTEX PHARMACEUTICALS (CANADA) INCORPORATED (CA) 2005-01-13 — — 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 (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 MAPT 1641/4885TP53 3612/4885KDM4E 1505/4885
US-20130096106-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS ZC3HAV1, ZYX, ZFX MAPT 1641/4885TP53 3612/4885KDM4E 1505/4885
US-20080269481-A1 Compounds and methods for the treatment or prevention of Flavivirus infections ZC3HAV1, ZYX, ZFX MAPT 1641/4885TP53 3612/4885KDM4E 1505/4885

“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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