SCHEMBL2158606

SCHEMBL2158606

CC(=O)O[C@H]1C[C@H](C)CC[C@]1(Cl)C(=O)O

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.32
CYP3A4 P08684 1/20 0.32
HSD11B1 P28845 1/20 0.31
TSHR P16473 1/20 0.30
PAX8 Q06710 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
SCHEMBL6712439 0.76 CYP3A4 (0.41) CYP3A4HSD11B1TSHRPAX8
SCHEMBL3857214 0.72 CYP3A4 (0.41) CYP3A4HSD11B1
SCHEMBL7000654 0.67 CYP2C19 (0.36)
Acetic Acid SCHEMBL27770131 0.65 CHRM2 (0.40) TSHR
SCHEMBL28741893 0.64
SCHEMBL13177047 0.64 CHRM2 (0.42) TSHR
SCHEMBL8970157 0.63 CYP1A2 (0.30)
SCHEMBL8970085 0.63 CYP1A2 (0.30)
SCHEMBL9556556 0.62 SLC6A4 (0.32)
SCHEMBL8970744 0.62 SLC6A4 (0.32)

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 19 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-20130123242-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS VERTEX PHARMACEUTICALS (CANADA) INCORPORATED (CA) 2013-05-16 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-8329924-B2 Compounds and methods for the treatment or prevention of Flavivirus infections VERTEX PHARMACEUTICALS (CANADA) INCORPORATED (CA) 2012-12-11 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-2363396-A1 Thiophene derivatives as antiviral agents for flavivirus infection Virochem Pharma Inc. (CA) 2011-09-07 EP disclosed
US-20110200553-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-08-18 US disclosed
US-7985769-B2 Compounds and methods for the treatment or prevention of Flavivirus infections VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-26 US disclosed
EP-2206709-A2 Thiophene derivatives as antiviral agents for flavivirus infection Virochem Pharma Inc. (CA) 2010-07-14 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
EP-1401825-B1 THIOPHENE DERIVATIVES AS ANTIVIRAL AGENTS FOR FLAVIVIRUS INFECTION VIROCHEM PHARMA INC (CA) 2009-08-05 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-7402608-B2 Compounds and methods for the treatment or prevention of Flavivirus infections VIROCHEM PHARMA INC. (CA) 2008-07-22 US disclosed
US-20060142347-A1 Compounds and methods for the treatment or prevention of Flavivirus infections VERTEX PHARMACEUTICALS (CANADA) INCORPORATED (CA) 2006-06-29 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-6881741-B2 Compounds and methods for the treatment or prevention of Flavivirus infections VIROCHEM PHARMA INC. (CA) 2005-04-19 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
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 (6 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 ALOX5 2212/4885CYP3A4 522/4885HSD11B1 863/4885
US-20110200553-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS HAVCR2, ZC3HAV1, MAVS ALOX5 2155/4885CYP3A4 622/4885HSD11B1 642/4885
US-20130123242-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS HAVCR2, ZC3HAV1, MAVS ALOX5 2155/4885CYP3A4 622/4885HSD11B1 642/4885
US-20060142347-A1 Compounds and methods for the treatment or prevention of Flavivirus infections HAVCR2, ZC3HAV1, MAVS ALOX5 2155/4885CYP3A4 622/4885HSD11B1 642/4885
US-20130096106-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS ZC3HAV1, ZYX, ZFX ALOX5 2212/4885CYP3A4 522/4885HSD11B1 863/4885
US-20080269481-A1 Compounds and methods for the treatment or prevention of Flavivirus infections ZC3HAV1, ZYX, ZFX ALOX5 2212/4885CYP3A4 522/4885HSD11B1 863/4885

“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.