SCHEMBL14865845

SCHEMBL14865845

C[C@@H]1CCC(C(=O)N(c2cc(-c3ccccc3)sc2C(=O)O)C2CCOCC2)[C@@H](C)C1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.35
KDM4E B2RXH2 2/20 0.33
PTPRF P10586 1/20 0.33
PTPN1 P18031 1/20 0.33
HTT P42858 1/20 0.33
ATM Q13315 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
PKM P14618 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
CYP2E1 P05181 1/20 0.32
ABCC1 P33527 1/20 0.32

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
SCHEMBL2876272 0.91 CHEK1 (0.35) CHEK1KDM4EPTPRFPTPN1HTT
SCHEMBL13355742 0.91 CHEK1 (0.35) CHEK1KDM4EPTPRFPTPN1HTT
SCHEMBL2244516 0.87 CYP2E1 (0.40) CHEK1KDM4EPTPRFPTPN1HTT
SCHEMBL12464253 0.87 KDM4E (0.37) CHEK1KDM4EPTPRFPTPN1HTT
SCHEMBL2871324 0.83 KDM4E (0.43) CHEK1KDM4EHTTATMLMNA
SCHEMBL2158215 0.82 PTPRF (0.36) KDM4EPTPRFPTPN1HTTATM
SCHEMBL2873335 0.82 KDM4E (0.42) CHEK1KDM4EHTTATMLMNA
SCHEMBL14030883 0.80 KDM4E (0.40) CHEK1KDM4EHTTATMLMNA
SCHEMBL2878321 0.79 KDM4E (0.42) KDM4EPTPRFPTPN1HTTATM
SCHEMBL17635079 0.79 KDM4E (0.42) KDM4EPTPRFPTPN1HTTATM

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 2 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-20130096106-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS VERTEX PHARMACEUTICALS (CANADA) INCORPORATED (CA) 2013-04-18 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 (1 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 CHEK1 4773/4885KDM4E 1505/4885PTPRF 125/4885

“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.