SCHEMBL2619782

SCHEMBL2619782

CC(O)CCCN(C(=O)C1CCC(C)CC1)c1cc(C2=CCCC(C)C2)sc1C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CYP2E1 P05181 1/20 0.38
NR1I2 O75469 2/20 0.34

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
SCHEMBL10246804 0.90 CYP2E1 (0.38) CYP2E1NR1I2
SCHEMBL2619610 0.89 CYP2E1 (0.38) CYP2E1NR1I2
SCHEMBL2619770 0.84 CYP2E1 (0.37) CYP2E1NR1I2
SCHEMBL10248742 0.84 CYP2E1 (0.39) CYP2E1NR1I2
SCHEMBL173159 0.84 CYP2E1 (0.40) CYP2E1NR1I2
SCHEMBL2620418 0.83 CYP2E1 (0.37) CYP2E1NR1I2
SCHEMBL2620481 0.82 CYP2E1 (0.38) CYP2E1NR1I2
SCHEMBL2623075 0.82 CYP2E1 (0.39) CYP2E1NR1I2
SCHEMBL2620485 0.82 CYP2E1 (0.38) CYP2E1NR1I2
SCHEMBL2620477 0.81 CYP2E1 (0.36) CYP2E1NR1I2

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-8158675-B2 Compounds and methods for the treatment or prevention of Flavivirus infections VERTEX PHARMACEUTICALS (CANADA) INCORPORATED (CA) 2012-04-17 US disclosed
US-20100093775-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS VIROCHEM PHARMA INC. (CA) 2010-04-15 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-20100093775-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS ZC3HAV1, YBX1, HAX1 CYP2E1 47/4885NR1I2 441/4885

“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.