SCHEMBL2876437

SCHEMBL2876437

CC1CCC(C(=O)N(CC2CCCNC2)c2cc(-c3ccccc3)sc2C(=O)O)CC1

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ GPR88 Q9GZN0 1/20 0.47
▸ CHEK1 O14757 9/20 0.42
▸ CYP2E1 P05181 1/20 0.39
▸ CHRNB2 P17787 2/20 0.37
▸ CHRNB4 P30926 2/20 0.37
▸ CHRNA3 P32297 2/20 0.37
▸ CHRNA4 P43681 2/20 0.37
▸ KCNH2 Q12809 1/20 0.37
▸ CDK2AP1 O14519 1/20 0.37
▸ USP30 Q70CQ3 1/20 0.37

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
Trifluoroacetic Acid SCHEMBL2873403 0.95 GPR88 (0.43) GPR88CHEK1CYP2E1KCNH2
SCHEMBL3812854 0.89 CHRM1 (0.39) CHEK1CYP2E1USP30
SCHEMBL2873404 0.88 GPR88 (0.41) GPR88CHEK1CHRNB2CHRNB4CHRNA3
SCHEMBL2877042 0.85 NR1I2 (0.41) CHEK1CYP2E1CHRNB2CHRNB4CHRNA3
Hydrochloric Acid SCHEMBL2878280 0.84 NR1I2 (0.41) CHEK1CYP2E1CHRNB2CHRNB4CHRNA3
SCHEMBL2874710 0.83 GHSR (0.41) CYP2E1
SCHEMBL2876357 0.83 CYP2E1 (0.42) CHEK1CYP2E1
SCHEMBL2157834 0.82 CYP2E1 (0.43) CYP2E1USP30
Hydrochloric Acid SCHEMBL2874873 0.82 CYP2E1 (0.41) CHEK1CYP2E1
SCHEMBL14214808 0.82 CYP2E1 (0.42) CYP2E1USP30

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 22 patents — showing the first 20. 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 claimed
US-20130096106-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS VERTEX PHARMACEUTICALS (CANADA) INCORPORATED (CA) 2013-04-18 — — US claimed
EP-1569929-B9 COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS VIROCHEM PHARMA INC (CA) 2011-09-14 — — EP claimed
EP-1569929-B1 COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS VIROCHEM PHARMA INC (CA) 2010-05-05 — — EP claimed
US-20050009804-A1 Compounds and methods for the treatment or prevention of Flavivirus infections VERTEX PHARMACEUTICALS (CANADA) INCORPORATED (CA) 2005-01-13 — — US claimed
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
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-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
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 GPR88 4175/4885CHEK1 4773/4885CYP2E1 202/4885
US-20130096106-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS ZC3HAV1, ZYX, ZFX GPR88 4175/4885CHEK1 4773/4885CYP2E1 202/4885
US-20080269481-A1 Compounds and methods for the treatment or prevention of Flavivirus infections ZC3HAV1, ZYX, ZFX GPR88 4175/4885CHEK1 4773/4885CYP2E1 202/4885

“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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