SCHEMBL6429208

SCHEMBL6429208

CC1CN(C(=O)O)CCC1N(C(=O)c1ccc(Cl)cc1Cl)c1cc(-c2ccccc2)sc1C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 5/20 0.38
▸ MCHR1 Q99705 1/20 0.34
▸ NPY1R P25929 1/20 0.33

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
SCHEMBL2158250 0.89 ENPP2 (0.37) —
SCHEMBL2158478 0.88 MCHR1 (0.39) MCHR1NPY1R
SCHEMBL2158448 0.86 NPY1R (0.38) MCHR1NPY1R
SCHEMBL14865860 0.86 CYP1A2 (0.35) —
SCHEMBL2158079 0.85 PPARA (0.35) MCHR1NPY1R
SCHEMBL2157491 0.83 SLC6A2 (0.42) —
SCHEMBL2157419 0.83 NPY1R (0.36) MCHR1NPY1R
SCHEMBL2157793 0.83 NPY1R (0.38) MCHR1NPY1R
SCHEMBL3808991 0.83 SLC6A12 (0.33) —
SCHEMBL2157549 0.82 P2RX7 (0.40) NPY1R

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-20130123242-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS VERTEX PHARMACEUTICALS (CANADA) INCORPORATED (CA) 2013-05-16 — — US disclosed
US-6881741-B2 Compounds and methods for the treatment or prevention of Flavivirus infections VIROCHEM PHARMA INC. (CA) 2005-04-19 — — 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-20130123242-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS HAVCR2, ZC3HAV1, MAVS PDK2 2303/4885MCHR1 3432/4885NPY1R 4376/4885

“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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