SCHEMBL1920563

SCHEMBL1920563

CNC(=O)c1c(-c2ccc(F)cc2)oc2ccc(-c3cc(OCCn4ccnc4)cc(C(=O)NCC(C)C)c3)cc12

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 5/20 0.44
CYP3A4 P08684 5/20 0.40
CYP2C8 P10632 5/20 0.40
KCNH2 Q12809 2/20 0.40
NR1I2 O75469 1/20 0.39
NAMPT P43490 2/20 0.39
FNTA P49354 1/20 0.37
FNTB P49356 1/20 0.37
PGGT1B P53609 1/20 0.37
POLB P06746 2/20 0.37
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
CYP51A1 Q16850 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
SCHEMBL1918325 0.88 P2RX3 (0.40) CYP3A4CYP2C8KCNH2NR1I2NAMPT
SCHEMBL1919535 0.88 CYP3A4 (0.42) CYP3A4CYP2C8KCNH2NR1I2NAMPT
SCHEMBL1919641 0.87 CYP3A4 (0.46) CYP3A4CYP2C8KCNH2NR1I2NAMPT
SCHEMBL1920292 0.86 CYP3A4 (0.42) CYP3A4CYP2C8KCNH2NR1I2
SCHEMBL2140040 0.86 CYP3A4 (0.42) CYP3A4CYP2C8KCNH2NR1I2KDM4E
SCHEMBL1920089 0.85 CYP3A4 (0.43) CYP3A4CYP2C8KCNH2NR1I2KDM4E
SCHEMBL1919108 0.84 CYP3A4 (0.41) CYP3A4CYP2C8KCNH2NR1I2
SCHEMBL1919539 0.84 CYP3A4 (0.41) CYP3A4CYP2C8KCNH2NR1I2
SCHEMBL1919625 0.84 CYP3A4 (0.46) CYP3A4CYP2C8KCNH2NR1I2NAMPT
SCHEMBL1920199 0.83 ANO1 (0.45) CYP3A4CYP2C8KCNH2NR1I2

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 33 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8722688-B2 Compounds for the treatment of hepatitis C BRISTOL-MYERS SQUIBB COMPANY (US) 2014-05-13 US disclosed
US-8722688-B2 Compounds for the treatment of hepatitis C BRISTOL-MYERS SQUIBB COMPANY (US) 2014-05-13 US disclosed
US-20130197012-A1 Compounds for the Treatment of Hepatitis C BRISTOL MYERS SQUIBB CO (US) 2013-08-01 US disclosed
US-20130197012-A1 Compounds for the Treatment of Hepatitis C BRISTOL MYERS SQUIBB CO (US) 2013-08-01 US disclosed
US-20130197012-A1 Compounds for the Treatment of Hepatitis C BRISTOL MYERS SQUIBB CO (US) 2013-08-01 US disclosed
US-20120316126-A1 Compounds for the Treatment of Hepatitis C BRISTOL-MYERS SQUIBB COMPANY 2012-12-13 US disclosed
US-20120316126-A1 Compounds for the Treatment of Hepatitis C BRISTOL-MYERS SQUIBB COMPANY 2012-12-13 US disclosed
US-20120316126-A1 Compounds for the Treatment of Hepatitis C BRISTOL-MYERS SQUIBB COMPANY 2012-12-13 US disclosed
US-8309558-B2 Compounds for the treatment of hepatitis C BRISTOL-MYERS SQUIBB COMPANY (US) 2012-11-13 US disclosed
US-8309558-B2 Compounds for the treatment of hepatitis C BRISTOL-MYERS SQUIBB COMPANY (US) 2012-11-13 US disclosed
US-7994171-B2 Compounds for the treatment of hepatitis C BRISTOL-MYERS SQUIBB COMPANY (US) 2011-08-09 US disclosed
US-7994171-B2 Compounds for the treatment of hepatitis C BRISTOL-MYERS SQUIBB COMPANY (US) 2011-08-09 US disclosed
EP-2326633-A1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C Bristol-Myers Squibb Company (US) 2011-06-01 EP disclosed
US-20100249094-A1 Compounds for the Treatment of Hepatitis C BRISTOL-MYERS SQUIBB COMPANY 2010-09-30 US disclosed
US-20100249094-A1 Compounds for the Treatment of Hepatitis C BRISTOL-MYERS SQUIBB COMPANY 2010-09-30 US disclosed
US-20100093694-A1 Compounds for the Treatment of Hepatitis C BRISTOL-MYERS SQUIBB COMPANY 2010-04-15 US disclosed
US-20100093694-A1 Compounds for the Treatment of Hepatitis C BRISTOL-MYERS SQUIBB COMPANY 2010-04-15 US disclosed
US-20100093694-A1 Compounds for the Treatment of Hepatitis C BRISTOL-MYERS SQUIBB COMPANY 2010-04-15 US disclosed
WO-2010030592-A1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C BRISTOL-MYERS SQUIBB COMPANY (US) 2010-03-18 WO disclosed
WO-2010030592-A1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C BRISTOL-MYERS SQUIBB COMPANY (US) 2010-03-18 WO 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 (4 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-20100249094-A1 Compounds for the Treatment of Hepatitis C HAVCR2, HCCS, SLC10A1 TBXAS1 1604/4885CYP3A4 299/4885CYP2C8 85/4885
US-20120316126-A1 Compounds for the Treatment of Hepatitis C HAVCR2, HCCS, SLC10A1 TBXAS1 1604/4885CYP3A4 299/4885CYP2C8 85/4885
US-20130197012-A1 Compounds for the Treatment of Hepatitis C HAVCR2, HCCS, SLC10A1 TBXAS1 1604/4885CYP3A4 299/4885CYP2C8 85/4885
US-20100093694-A1 Compounds for the Treatment of Hepatitis C HAVCR2, HCCS, SLC10A1 TBXAS1 1604/4885CYP3A4 299/4885CYP2C8 85/4885

“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.