SCHEMBL51501

SCHEMBL51501

O=C(O)c1ccc2cc3n(c2c1)CC1(C(=O)O)C=C1c1ccccc1-3

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RPS6KA2 Q15349 8/20 0.37
RPS6KA3 P51812 5/20 0.37
HSD17B10 Q99714 1/20 0.35
SRD5A2 P31213 2/20 0.35
POLB P06746 1/20 0.35
KMT2A Q03164 1/20 0.35
SRD5A1 P18405 1/20 0.35
ACLY P53396 2/20 0.34
TTR P02766 1/20 0.34
FGFR1 P11362 1/20 0.34
PTPRC P08575 2/20 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
SCHEMBL50159 0.87 L3MBTL1 (0.36) HSD17B10KMT2A
SCHEMBL50693 0.83 RPS6KA3 (0.46) RPS6KA2RPS6KA3FGFR1
SCHEMBL3574670 0.73 SRD5A2 (0.50) RPS6KA2RPS6KA3SRD5A2SRD5A1
SCHEMBL3080179 0.71 RPS6KA2 (0.54) RPS6KA2RPS6KA3
SCHEMBL270972 0.70 POLB (0.40) RPS6KA2RPS6KA3HSD17B10SRD5A2POLB
SCHEMBL3095903 0.70 RPS6KA2 (0.43) RPS6KA2RPS6KA3
SCHEMBL50870 0.69 POLB (0.39) RPS6KA2RPS6KA3HSD17B10SRD5A2POLB
SCHEMBL4144644 0.69 RPS6KA2 (0.47) RPS6KA2RPS6KA3
SCHEMBL4139802 0.69 FGFR1 (0.38) RPS6KA2RPS6KA3HSD17B10SRD5A2POLB
SCHEMBL3092044 0.67 RPS6KA2 (0.43) RPS6KA2RPS6KA3SRD5A2SRD5A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2518073-B1 Compounds for the treatment of Hepatitis C BRISTOL MYERS SQUIBB CO (US) 2015-08-26 EP disclosed
EP-2118109-B1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C BRISTOL MYERS SQUIBB CO (US) 2014-11-26 EP disclosed
US-20140186299-A1 Cyclopropyl Fused Indolobenzazepine HCV NS5B Inhibitors BRISTOL MYERS SQUIBB CO (US) 2014-07-03 US disclosed
US-20140045816-A1 Cyclopropyl Fused Indolobenzazepine HCV NS5B Inhibitors BRISTOL MYERS SQUIBB CO (US) 2014-02-13 US disclosed
US-20130171098-A1 Cyclopropyl Fused Indolobenzazepine HCV NS5B Inhibitors BRISTOL MYERS SQUIBB CO (US) 2013-07-04 US disclosed
EP-2401280-B1 Cyclopropyl fused indolobenzazepine hcv ns5b inhibitors BRISTOL MYERS SQUIBB CO (US) 2013-05-01 EP disclosed
EP-2118108-B1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C BRISTOL MYERS SQUIBB CO (US) 2012-11-14 EP disclosed
EP-2518073-A1 Compounds for the treatment of Hepatitis C Bristol-Myers Squibb Company (US) 2012-10-31 EP disclosed
EP-2209784-B1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C BRISTOL MYERS SQUIBB CO (US) 2012-08-01 EP disclosed
US-20120115847-A1 Compounds for the Treatment of Hepatitis C BRISTOL-MYERS SQUIBB COMPANY 2012-05-10 US disclosed
US-20080226591-A1 Compounds for the Treatment of Hepatitis C BRISTOL-MYERS SQUIBB COMPANY 2008-09-18 US disclosed
US-20080226590-A1 Compounds for the Treatment of Hepatitis C BRISTOL-MYERS SQUIBB COMPANY 2008-09-18 US disclosed
US-20080227769-A1 Compounds for the Treatment of Hepatitis C BRISTOL-MYERS SQUIBB COMPANY 2008-09-18 US disclosed
US-20080226593-A1 Compounds for the Treatment of Hepatitis C BRISTOL-MYERS SQUIBB COMPANY 2008-09-18 US disclosed
US-20080146537-A1 3,8-Diazabicyclo[3.2.1]octane-3-carboxylic acid, 8-[[8-cyclohexyl-5-[[[(dimethylamino)sulfonyl]amino]carbonyl]-1,12b-dihydro-11-methoxycycloprop[d]indolo[2,1-a][2]benzazepin-1a(2H)-yl]carbonyl]-, phenylmethyl ester; RNA polymerase inhibitor; liver disease, including cirrhosis and hepatocellular carcinoma BRISTOL-MYERS SQUIBB COMPANY 2008-06-19 US disclosed
US-20070287694-A1 Cyclopropyl Fused Indolobenzazepine HCV NS5B Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-12-13 US disclosed
US-20070275930-A1 Cyclopropyl Fused Indolobenzazepine HCV NS5B Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-11-29 US disclosed
US-20070270406-A1 Cyclopropyl Fused Indolobenzazepine HCV NS5B Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-11-22 US disclosed
US-20070270405-A1 Cyclopropyl Fused Indolobenzazepine HCV NS5B Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-11-22 US disclosed
US-20070184024-A1 Cyclopropyl Fused Indolobenzazepine HCV NS5B Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-08-09 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 (14 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-20070270405-A1 Cyclopropyl Fused Indolobenzazepine HCV NS5B Inhibitors HAVCR2, ZC3HAV1, HCCS RPS6KA2 2459/4885RPS6KA3 1970/4885HSD17B10 259/4885
US-20140045816-A1 Cyclopropyl Fused Indolobenzazepine HCV NS5B Inhibitors HAVCR2, ZC3HAV1, HCCS RPS6KA2 2459/4885RPS6KA3 1970/4885HSD17B10 259/4885
US-20070184024-A1 Cyclopropyl Fused Indolobenzazepine HCV NS5B Inhibitors ZC3HAV1, CYP3A5, SLC10A1 RPS6KA2 3360/4885RPS6KA3 2754/4885HSD17B10 293/4885
US-20080226590-A1 Compounds for the Treatment of Hepatitis C HAVCR2, HCCS, SLC10A1 RPS6KA2 1996/4885RPS6KA3 1278/4885HSD17B10 215/4885
US-20070275930-A1 Cyclopropyl Fused Indolobenzazepine HCV NS5B Inhibitors HAVCR2, ZC3HAV1, HCCS RPS6KA2 2459/4885RPS6KA3 1970/4885HSD17B10 259/4885
US-20070270406-A1 Cyclopropyl Fused Indolobenzazepine HCV NS5B Inhibitors HAVCR2, ZC3HAV1, HCCS RPS6KA2 2459/4885RPS6KA3 1970/4885HSD17B10 259/4885
US-20120115847-A1 Compounds for the Treatment of Hepatitis C HAVCR2, HCCS, SLC10A1 RPS6KA2 1996/4885RPS6KA3 1278/4885HSD17B10 215/4885
US-20080227769-A1 Compounds for the Treatment of Hepatitis C SLC10A1, HAVCR2, NR1H4 RPS6KA2 2540/4885RPS6KA3 1717/4885HSD17B10 204/4885
US-20080146537-A1 3,8-Diazabicyclo[3.2.1]octane-3-carboxylic acid, 8-[[8-cyclohexyl-5-[[[(dimethylamino)sulfonyl]amino]carbonyl]-1,12b-dihydro-11-methoxycycloprop[d]indolo[2,1-a][2]benzazepin-1a(2H)-yl]carbonyl]-, phenylmethyl ester; RNA polymerase inhibitor; liver disease, including cirrhosis and hepatocellular carcinoma ZC3HAV1, ODC1, MED1 RPS6KA2 1949/4885RPS6KA3 1476/4885HSD17B10 1522/4885
US-20080226593-A1 Compounds for the Treatment of Hepatitis C HAVCR2, HCCS, SLC10A1 RPS6KA2 1996/4885RPS6KA3 1278/4885HSD17B10 215/4885
US-20140186299-A1 Cyclopropyl Fused Indolobenzazepine HCV NS5B Inhibitors HAVCR2, ZC3HAV1, HCCS RPS6KA2 2459/4885RPS6KA3 1970/4885HSD17B10 259/4885
US-20130171098-A1 Cyclopropyl Fused Indolobenzazepine HCV NS5B Inhibitors HAVCR2, ZC3HAV1, HCCS RPS6KA2 2459/4885RPS6KA3 1970/4885HSD17B10 259/4885
US-20070287694-A1 Cyclopropyl Fused Indolobenzazepine HCV NS5B Inhibitors HAVCR2, ZC3HAV1, CCR5 RPS6KA2 3470/4885RPS6KA3 2615/4885HSD17B10 566/4885
US-20080226591-A1 Compounds for the Treatment of Hepatitis C HAVCR2, HCCS, SLC10A1 RPS6KA2 1996/4885RPS6KA3 1278/4885HSD17B10 215/4885

“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.