SCHEMBL3045186

SCHEMBL3045186

CNC(=O)c1cccc(NC(C(=O)O)C(C)(C)C)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
SLC7A5 Q01650 1/20 0.47
SIRT5 Q9NXA8 1/20 0.46
KMT2A Q03164 5/20 0.44
MEN1 O00255 4/20 0.44
SCN9A Q15858 1/20 0.43
LMNA P02545 1/20 0.41
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CSNK2A1 P68400 2/20 0.40
KCNK9 Q9NPC2 1/20 0.40
CSNK2A2 P19784 1/20 0.40
CSNK2B P67870 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL3045183 1.00 HDAC8 (0.47) HDAC8HDAC6SLC7A5SIRT5KMT2A
SCHEMBL8192015 0.86 TDP1 (0.38) SIRT5KMT2AMEN1NPC1ALDH1A1
SCHEMBL8176078 0.81 SLC7A5 (0.51) SLC7A5NPC1ALDH1A1MAPTRAB9A
SCHEMBL13336875 0.80 LMNA (0.50) LMNAALDH1A1CSNK2A1PKM
SCHEMBL3054398 0.80 RAB9A (0.61) KMT2AMEN1LMNANPC1ALDH1A1
SCHEMBL12401982 0.79 MEN1 (0.49) KMT2AMEN1LMNAALDH1A1GAA
SCHEMBL7936084 0.78 HCRTR2 (0.45) KMT2AMEN1LMNAALDH1A1GAA
SCHEMBL3047727 0.78 HCRTR2 (0.45) KMT2AMEN1LMNAALDH1A1GAA
SCHEMBL3042876 0.78 MMP2 (0.50) KMT2AMEN1NPC1ALDH1A1GAA
SCHEMBL13224065 0.78 MMP2 (0.50) KMT2AMEN1NPC1ALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2086963-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2015-09-16 EP disclosed
EP-2086963-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2015-09-16 EP disclosed
US-7772180-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-08-10 US disclosed
US-7772180-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-08-10 US disclosed
US-7772180-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-08-10 US disclosed
EP-2086963-A2 HEPATITIS C VIRUS INHIBITORS Brystol-Myers Squibb Company (US) 2009-08-12 EP disclosed
WO-2008060927-A2 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-05-22 WO disclosed
US-20080119461-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2008-05-22 US disclosed
US-20080119461-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2008-05-22 US disclosed
US-20080119461-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2008-05-22 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-20080119461-A1 Hepatitis C Virus Inhibitors HAVCR2, HCCS, PYGL HDAC8 2044/4885HDAC6 915/4885SLC7A5 2671/4885

“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.