SCHEMBL14801448

SCHEMBL14801448

COC(=O)c1ccc(Nc2cc(NCc3ccc(O)cc3)nc(S(C)(=O)=O)n2)nc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.49
CA2 P00918 4/20 0.49
PTGS2 P35354 1/20 0.43
AURKA O14965 3/20 0.41
CA12 O43570 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
GABRA5 P31644 2/20 0.38
POLB P06746 1/20 0.38
HDAC1 Q13547 1/20 0.38
ALDH1A1 P00352 2/20 0.37
AXL P30530 1/20 0.37
FLT3 P36888 1/20 0.37
MERTK Q12866 1/20 0.37
TP53 P04637 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
HPGD P15428 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
SCHEMBL16012133 0.91 DRD2 (0.44) CA1CA2AURKAPOLBHDAC1
SCHEMBL14802065 0.90 PTGS2 (0.45) CA1CA2PTGS2AXLFLT3
SCHEMBL14801946 0.85 CA1 (0.47) CA1CA2AURKACA12CA7
SCHEMBL14801886 0.83 CA1 (0.45) CA1CA2PTGS2AURKAGABRA5
SCHEMBL14801507 0.82 CA1 (0.47) CA1CA2PTGS2AURKACA12
SCHEMBL17797436 0.81 VNN1 (0.44) PTGS2HDAC1ALDH1A1
SCHEMBL16012065 0.77 VNN1 (0.44) GABRA5HDAC1ALDH1A1
SCHEMBL14801537 0.75 HCAR3 (0.43) HDAC1TP53
SCHEMBL16023882 0.74 DRD2 (0.43) CA1CA2PTGS2AURKAPOLB
SCHEMBL19221575 0.74 DRD2 (0.43) CA1CA2PTGS2AURKAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9422311-B2 Compounds for the treatment of hepatitis C BRISTOL-MYERS SQUIBB COMPANY (US) 2016-08-23 US disclosed
US-9422311-B2 Compounds for the treatment of hepatitis C BRISTOL-MYERS SQUIBB COMPANY (US) 2016-08-23 US disclosed
US-9422311-B2 Compounds for the treatment of hepatitis C BRISTOL-MYERS SQUIBB COMPANY (US) 2016-08-23 US disclosed
EP-2760872-B1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C BRISTOL MYERS SQUIBB CO (US) 2016-04-13 EP disclosed
EP-2760872-B1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C BRISTOL MYERS SQUIBB CO (US) 2016-04-13 EP disclosed
US-20150274753-A1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C BRISTOL-MYERS SQUIBB COMPANY 2015-10-01 US disclosed
US-20150274753-A1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C BRISTOL-MYERS SQUIBB COMPANY 2015-10-01 US disclosed
US-20150274753-A1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C BRISTOL-MYERS SQUIBB COMPANY 2015-10-01 US disclosed
EP-2917222-A1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C Bristol-Myers Squibb Company (US) 2015-09-16 EP disclosed
EP-2760872-A1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C Bristol-Myers Squibb Company (US) 2014-08-06 EP disclosed
WO-2014062636-A1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C BRISTOL-MYERS SQUIBB COMPANY (US) 2014-04-24 WO disclosed
US-8629150-B2 Compounds for the treatment of hepatitis C BRISTOL-MYERS SQUIBB COMPANY (US) 2014-01-14 US disclosed
US-8629150-B2 Compounds for the treatment of hepatitis C BRISTOL-MYERS SQUIBB COMPANY (US) 2014-01-14 US disclosed
US-8629150-B2 Compounds for the treatment of hepatitis C BRISTOL-MYERS SQUIBB COMPANY (US) 2014-01-14 US disclosed
WO-2013048995-A1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C BRISTOL-MYERS SQUIBB COMPANY (US) 2013-04-04 WO disclosed
WO-2013048995-A1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C BRISTOL-MYERS SQUIBB COMPANY (US) 2013-04-04 WO disclosed
US-20130078214-A1 Compounds for the Treatment of Hepatitis C BRISTOL-MYERS SQUIBB COMPANY (US) 2013-03-28 US disclosed
US-20130078214-A1 Compounds for the Treatment of Hepatitis C BRISTOL-MYERS SQUIBB COMPANY (US) 2013-03-28 US disclosed
US-20130078214-A1 Compounds for the Treatment of Hepatitis C BRISTOL-MYERS SQUIBB COMPANY (US) 2013-03-28 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-20150274753-A1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C HAVCR2, SLC10A1, HCCS CA1 4446/4885CA2 4355/4885PTGS2 2638/4885
US-20130078214-A1 Compounds for the Treatment of Hepatitis C HAVCR2, SLC10A1, HCCS CA1 4446/4885CA2 4355/4885PTGS2 2638/4885

“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.