SCHEMBL14217294

SCHEMBL14217294

CC(=O)c1c(-c2ccc(F)cc2)oc2ccc(O)c(F)c12

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.43
KCNH2 Q12809 6/20 0.43
ANO1 Q5XXA6 2/20 0.38
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36
AR P10275 1/20 0.36
PTGS2 P35354 3/20 0.36
PTGS1 P23219 1/20 0.36
ACHE P22303 1/20 0.36
BACE1 P56817 1/20 0.36
CYP2C8 P10632 1/20 0.36

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
SCHEMBL1918655 0.87 ANO1 (0.44) ABCB1ANO1KDM4EMEN1ALDH1A1
SCHEMBL1918982 0.85 KCNH2 (0.52) KCNH2CYP2C8
SCHEMBL253511 0.82 GAA (0.53) KDM4EMEN1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL253936 0.79 KCNH2 (0.47) KCNH2CYP2C8
SCHEMBL120304 0.76 RAB9A (0.56) ANO1KDM4EMEN1ALDH1A1KMT2A
SCHEMBL9948040 0.76 ANO1 (0.42) ABCB1ANO1KDM4EMEN1ALDH1A1
SCHEMBL243503 0.75 KCNH2 (0.50) KCNH2CYP2C8
SCHEMBL17464346 0.74 KCNH2 (0.53) KCNH2KDM4EALDH1A1CYP2C8
SCHEMBL9948375 0.72 MEN1 (0.51) KDM4EMEN1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL3631501 0.70 GAA (0.42) KCNH2ANO1MEN1ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9096580-B2 Benzofuran derivatives for the treatment of hepatitis C BRISTOL-MYERS SQUIBB COMPANY (US) 2015-08-04 US disclosed
US-20150141395-A1 BENZOFURAN DERIVATIVES FOR THE TREATMENT OF HEPATITIS C BRISTOL-MYERS SQUIBB COMPANY 2015-05-21 US disclosed
US-8507683-B2 Compounds for the treatment of hepatitis C BRISTOL-MYERS SQUIBB COMPANY (US) 2013-08-13 US disclosed
US-20120309770-A1 Compounds for the Treatment of Hepatitis C BRISTOL-MYERS SQUIBB COMPANY 2012-12-06 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-20150141395-A1 BENZOFURAN DERIVATIVES FOR THE TREATMENT OF HEPATITIS C HAVCR2, UGT2B7, GOT1 ABCB1 81/4885KCNH2 3615/4885ANO1 2887/4885
US-20120309770-A1 Compounds for the Treatment of Hepatitis C HAVCR2, HCCS, SLC10A1 ABCB1 111/4885KCNH2 3814/4885ANO1 1786/4885

“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.