SCHEMBL2879186

SCHEMBL2879186

CC1CC=C(C(=O)Cl)CC1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.40
LMNA P02545 1/20 0.40
TSHR P16473 1/20 0.40
CCR2 P41597 6/20 0.34
TLR4 O00206 1/20 0.32
GABRR1 P24046 2/20 0.31
ALDH1A1 P00352 1/20 0.30
CYP2C19 P33261 1/20 0.30
TNF P01375 1/20 0.30
NOD1 Q9Y239 1/20 0.30
CHRNB2 P17787 1/20 0.30
CHRNA7 P36544 1/20 0.30
CHRNA4 P43681 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
SCHEMBL10066924 0.82 LMNA (0.44) CES2LMNATSHRCCR2TLR4
SCHEMBL13745963 0.82 CES2 (0.58) CES2LMNATSHRCCR2GABRR1
SCHEMBL2874581 0.82 CES2 (0.58) CES2LMNATSHRCCR2GABRR1
SCHEMBL1780881 0.82 LMNA (0.44) CES2LMNATSHRCCR2TLR4
SCHEMBL18614512 0.82 LMNA (0.44) CES2LMNATSHRCCR2TLR4
SCHEMBL13457693 0.80 GABRR1 (0.47) CES2LMNATSHRCCR2GABRR1
SCHEMBL14231199 0.80 GABRR1 (0.47) CES2LMNATSHRCCR2GABRR1
Hydrochloric Acid SCHEMBL2879189 0.80 CES2 (0.56) CES2LMNATSHRCCR2GABRR1
Bromide SCHEMBL9860546 0.80 CES2 (0.56) CES2LMNATSHRCCR2GABRR1
SCHEMBL8028496 0.80 LMNA (0.40) CES2LMNATSHRCCR2GABRR1

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 70 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 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-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-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
EP-0193280-A2 Catalyst component for olefin polymerization TOA NENRYO KOGYO KABUSHIKI KAISHA (JP) 1986-09-03 EP disclosed
EP-0173472-A2 Catalyst component for polymerization of olefins Tonen Corporation (JP) 1986-03-05 EP disclosed
EP-0173470-A2 Catalyst component for polymerization of olefins Tonen Corporation (JP) 1986-03-05 EP disclosed
EP-0171155-A1 Catalyst component for polymerization of olefins Tonen Corporation (JP) 1986-02-12 EP disclosed
EP-0171200-A2 Catalyst component for polymerization of olefins TOA NENRYO KOGYO KABUSHIKI KAISHA (JP) 1986-02-12 EP disclosed
US-4565798-A COORDINATION CATALYSTS, TITANIUM, MAGNESIUM, SILICON COMPOUND TOA NENRYO KOGYO KABUSHIKI KAISHA (JP) 1986-01-21 US disclosed
EP-0157472-A1 Process for polymerization of olefins TOA NENRYO KOGYO KABUSHIKI KAISHA (JP) 1985-10-09 EP disclosed
EP-0156512-A1 Process for preparing catalyst component for polymerization of olefins TOA NENRYO KOGYO KABUSHIKI KAISHA (JP) 1985-10-02 EP disclosed
EP-0147053-A1 A catalyst and a process for polymerization of olefins Tonen Corporation (JP) 1985-07-03 EP disclosed
EP-0145368-A2 Process for producing propylene block copolymers TOA NENRYO KOGYO KABUSHIKI KAISHA (JP) 1985-06-19 EP 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 CES2 1250/4885LMNA 1242/4885TSHR 4286/4885
US-20130096106-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS ZC3HAV1, ZYX, ZFX CES2 1250/4885LMNA 1242/4885TSHR 4286/4885
US-20080269481-A1 Compounds and methods for the treatment or prevention of Flavivirus infections ZC3HAV1, ZYX, ZFX CES2 1250/4885LMNA 1242/4885TSHR 4286/4885

“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.