SCHEMBL2464080

SCHEMBL2464080

CCOC(=O)c1c(-c2ccc(F)cc2)nn2cc(N(C(=O)OC(C)(C)C)S(C)(=O)=O)c(OCc3ccccc3)cc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.37
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 3/20 0.36
HPGD P15428 2/20 0.36
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36
KMT2A Q03164 1/20 0.36
NPSR1 Q6W5P4 2/20 0.34
CYP19A1 P11511 2/20 0.34
EGFR P00533 1/20 0.34
TP53 P04637 1/20 0.34
KEAP1 Q14145 1/20 0.34
NFE2L2 Q16236 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MMP13 P45452 1/20 0.34
NOD2 Q9HC29 1/20 0.34
NOD1 Q9Y239 1/20 0.34
CDK2 P24941 1/20 0.33
CDK9 P50750 1/20 0.33
CYP2C9 P11712 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
SCHEMBL2469793 0.88 LMNA (0.40) LMNAALDH1A1KDM4EHPGDMEN1
SCHEMBL17530712 0.85 ALDH1A1 (0.36) LMNAALDH1A1KDM4EHPGDMEN1
SCHEMBL2997423 0.82 LMNA (0.38) LMNAALDH1A1KDM4EHPGDMEN1
SCHEMBL1936858 0.82 LMNA (0.42) LMNAALDH1A1KDM4EHPGDMEN1
SCHEMBL15941967 0.80 CYP19A1 (0.47) KMT2ACYP19A1KEAP1NFE2L2
SCHEMBL2432818 0.80 KEAP1 (0.41) CYP19A1KEAP1NFE2L2PTGER1
SCHEMBL12164724 0.79 KEAP1 (0.38) LMNAALDH1A1CYP19A1EGFRKEAP1
SCHEMBL15941908 0.79 CYP19A1 (0.47) CYP19A1KEAP1NFE2L2PTGER1
SCHEMBL2997871 0.78 BRAF (0.42) LMNAALDH1A1KDM4EHPGDMEN1
SCHEMBL1936885 0.77 CYP19A1 (0.40) LMNAALDH1A1CYP19A1KEAP1NFE2L2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2331502-B1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C BRISTOL MYERS SQUIBB CO (US) 2016-03-02 EP disclosed
EP-2545050-A1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C Bristol-Myers Squibb Company (US) 2013-01-16 EP disclosed
US-8198449-B2 Compounds for the treatment of hepatitis C BRISTOL-MYERS SQUIBB COMPANY (US) 2012-06-12 US disclosed
WO-2011112186-A1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C BRISTOL-MYERS SQUIBB COMPANY (US) 2011-09-15 WO disclosed
US-20100063068-A1 Compounds for the Treatment of Hepatitis C BRISTOL-MYERS SQUIBB COMPANY 2010-03-11 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-20100063068-A1 Compounds for the Treatment of Hepatitis C HAVCR2, HCCS, SLC10A1 LMNA 3141/4885ALDH1A1 447/4885KDM4E 4005/4885

“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.