SCHEMBL2877238

SCHEMBL2877238

CC1CCC(C(=O)N(c2cc(-c3ccccc3)sc2C(=O)O)C2CCCNCC2)CC1

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 2/20 0.41
CHEK1 O14757 6/20 0.38
KCNH2 Q12809 2/20 0.38
KDM4E B2RXH2 1/20 0.37
HTT P42858 1/20 0.37
ATM Q13315 1/20 0.37
CDK2AP1 O14519 1/20 0.35

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
SCHEMBL2157823 0.96 KDM4E (0.39) NR1I2CHEK1KDM4EHTTATM
SCHEMBL2249120 0.95 NR1I2 (0.39) NR1I2CHEK1KDM4EHTTATM
SCHEMBL3809136 0.90 NR1I2 (0.42) NR1I2KDM4EHTTATM
SCHEMBL17635079 0.89 KDM4E (0.42) NR1I2KDM4EHTTATM
SCHEMBL2878321 0.89 KDM4E (0.42) NR1I2KDM4EHTTATM
SCHEMBL13270521 0.88 OPRM1 (0.38) CHEK1KDM4EHTTATM
SCHEMBL2877241 0.88 CHEK1 (0.38) CHEK1KCNH2KDM4EHTTATM
Lithium Ion SCHEMBL2249121 0.88 KDM4E (0.37) NR1I2CHEK1KCNH2KDM4EHTT
SCHEMBL2425688 0.87 KDM4E (0.50) CHEK1KDM4EHTTATM
SCHEMBL2430637 0.87 KDM4E (0.50) CHEK1KDM4EHTTATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20130096106-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS ZC3HAV1, ZYX, ZFX NR1I2 1393/4885CHEK1 4773/4885KCNH2 1342/4885
US-20080269481-A1 Compounds and methods for the treatment or prevention of Flavivirus infections ZC3HAV1, ZYX, ZFX NR1I2 1393/4885CHEK1 4773/4885KCNH2 1342/4885

“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.