SCHEMBL1919685

SCHEMBL1919685

O=S(=O)(Oc1ccc2occc2c1)C(F)(F)F

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA2 P00918 10/20 0.52
CA12 O43570 8/20 0.52
HSD11B1 P28845 1/20 0.48
CA1 P00915 1/20 0.45
EPM2A O95278 1/20 0.44
PTPRC P08575 1/20 0.44
PTPN6 P29350 1/20 0.44
CDC14A Q9UNH5 1/20 0.44
PTPN22 Q9Y2R2 1/20 0.44
MRGPRX4 Q96LA9 1/20 0.42
CYP2A6 P11509 2/20 0.41
FDFT1 P37268 2/20 0.37
HTR1A P08908 1/20 0.37
HTR1D P28221 1/20 0.37
HTR1B P28222 1/20 0.37
CTNNB1 P35222 1/20 0.37
WNT3A P56704 1/20 0.37

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
SCHEMBL7410 0.87 HSD11B1 (0.51) CA2CA12HSD11B1CA1MRGPRX4
SCHEMBL4056753 0.80 CA1 (0.51) CA2HSD11B1CA1HTR1AHTR1D
SCHEMBL10533060 0.80 CA2 (0.77) CA2CA12MRGPRX4CYP2A6
SCHEMBL17440323 0.78 CYP2A6 (0.58) CA2CA12HSD11B1CA1CYP2A6
SCHEMBL20530835 0.77 CA2 (0.78) CA2CA12MRGPRX4CYP2A6FDFT1
SCHEMBL1500164 0.77 KDM4E (0.59) CA2CA12HSD11B1CA1
SCHEMBL13933202 0.77 CA1 (0.49) CA2HSD11B1CA1HTR1AHTR1D
SCHEMBL598333 0.77 CA1 (0.50) CA2HSD11B1CA1HTR1AHTR1D
SCHEMBL20274091 0.76 PIM1 (0.50) CA2CA12EPM2APTPRCPTPN6
SCHEMBL16472640 0.76 CYP2A6 (0.40) CA2CA12HSD11B1CA1EPM2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2326633-B1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C BRISTOL MYERS SQUIBB CO (US) 2015-12-16 EP 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
EP-2545042-A1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C Bristol-Myers Squibb Company (US) 2013-01-16 EP 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-20120201783-A1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C BRISTOL-MYERS SQUIBB COMPANY 2012-08-09 US disclosed
US-8148382-B2 Compounds for the treatment of hepatitis C BRISTOL-MYERS SQUIBB COMPANY (US) 2012-04-03 US disclosed
US-8048887-B2 Compounds for the treatment of hepatitis C BRISTOL-MYERS SQUIBB COMPANY (US) 2011-11-01 US disclosed
US-20110256099-A1 Compounds for the Treatment of Hepatitis C BRISTOL-MYERS SQUIBB COMPANY 2011-10-20 US disclosed
WO-2011112191-A1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C BRISTOL-MYERS SQUIBB COMPANY (US) 2011-09-15 WO 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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 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 CA2 4286/4885CA12 1392/4885HSD11B1 1108/4885
US-20120316126-A1 Compounds for the Treatment of Hepatitis C HAVCR2, HCCS, SLC10A1 CA2 4286/4885CA12 1392/4885HSD11B1 1108/4885
US-20130197012-A1 Compounds for the Treatment of Hepatitis C HAVCR2, HCCS, SLC10A1 CA2 4286/4885CA12 1392/4885HSD11B1 1108/4885
US-20120201783-A1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C HAVCR2, HCCS, SLC10A1 CA2 4286/4885CA12 1392/4885HSD11B1 1108/4885
US-20100093694-A1 Compounds for the Treatment of Hepatitis C HAVCR2, HCCS, SLC10A1 CA2 4286/4885CA12 1392/4885HSD11B1 1108/4885
US-20110256099-A1 Compounds for the Treatment of Hepatitis C HAVCR2, HCCS, SLC10A1 CA2 4286/4885CA12 1392/4885HSD11B1 1108/4885

“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.