SCHEMBL10163441

SCHEMBL10163441

COc1ccccc1CNC(=O)C(C)=O

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 6/20 0.65
KMT2A Q03164 3/20 0.61
MEN1 O00255 2/20 0.61
HTT P42858 2/20 0.61
ALDH1A1 P00352 2/20 0.61
NPC1 O15118 2/20 0.61
RAB9A P51151 2/20 0.61
NPSR1 Q6W5P4 1/20 0.61
HDAC1 Q13547 1/20 0.60
GAA P10253 1/20 0.58
KDM4E B2RXH2 1/20 0.58
RCE1 Q9Y256 1/20 0.58
MTNR1A P48039 1/20 0.58
MTNR1B P49286 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.57
TSHR P16473 1/20 0.57
POLB P06746 1/20 0.56

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
SCHEMBL8477018 0.87 HPGD (0.61) HPGDKMT2AMEN1HTTALDH1A1
SCHEMBL885000 0.86 MTNR1A (0.71) HPGDKMT2AMEN1HTTALDH1A1
SCHEMBL2204065 0.85 NPSR1 (0.64) HPGDKMT2AMEN1HTTALDH1A1
SCHEMBL2938380 0.83 KMT2A (0.69) HPGDKMT2AMEN1HTTALDH1A1
SCHEMBL13434069 0.83 HPGD (0.69) HPGDKMT2AMEN1HTTALDH1A1
SCHEMBL25189340 0.82 HPGD (0.68) HPGDKMT2AMEN1HTTALDH1A1
SCHEMBL1520822 0.81 NPSR1 (0.68) HPGDKMT2AMEN1HTTALDH1A1
SCHEMBL14670856 0.80 HPGD (0.70) HPGDKMT2AMEN1HTTALDH1A1
SCHEMBL15831228 0.80 ALDH1A1 (0.75) HPGDKMT2AMEN1HTTALDH1A1
SCHEMBL6290075 0.80 HPGD (0.70) HPGDKMT2AMEN1HTTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8314141-B2 Inhibitors of serine proteases, particularly hepatitis C virus NS3 protease VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-11-20 US disclosed
US-8314141-B2 Inhibitors of serine proteases, particularly hepatitis C virus NS3 protease VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-11-20 US disclosed
EP-2409985-A2 Inhibitors de serine proteases, especially of the NS3 protease of the hepatitis C virus VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-01-25 EP disclosed
EP-2314598-A1 Inhibitors of Hepatitis C virus NS3 serine protease VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-04-27 EP disclosed
US-20090143312-A1 INHIBITORS OF SERINE PROTEASES, PARTICULARLY HEPATITIS C VIRUS NS3 PROTEASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-06-04 US disclosed
US-20090143312-A1 INHIBITORS OF SERINE PROTEASES, PARTICULARLY HEPATITIS C VIRUS NS3 PROTEASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-06-04 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-20090143312-A1 INHIBITORS OF SERINE PROTEASES, PARTICULARLY HEPATITIS C VIRUS NS3 PROTEASE HPN, PRSS1, PRSS3 HPGD 2040/4885KMT2A 3959/4885MEN1 4337/4885

“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.