SCHEMBL5337213

SCHEMBL5337213

COC(=O)c1ccc2c(C3CCCCC3)c3n(c2c1)CC(C(=O)N1CCOCC1)Cc1ccccc1-3

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 3/20 0.48
PRKCA P17252 1/20 0.42
MMP12 P39900 1/20 0.42
SCN9A Q15858 5/20 0.40
ALDH1A1 P00352 3/20 0.38
POLB P06746 1/20 0.38
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36
MGLL Q99685 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
LMNA P02545 1/20 0.35
KDM4E B2RXH2 1/20 0.35
GLA P06280 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
MTNR1A P48039 1/20 0.34
MTNR1B P49286 1/20 0.34

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
SCHEMBL14253200 0.91 PRKCA (0.43) NR1I2PRKCAMMP12SCN9AALDH1A1
SCHEMBL4825585 0.90 PRKCA (0.50) NR1I2PRKCAMMP12SCN9AALDH1A1
SCHEMBL13936853 0.90 NR1I2 (0.50) NR1I2PRKCAMMP12SCN9AALDH1A1
SCHEMBL14253779 0.90 PRKCA (0.50) NR1I2PRKCAMMP12SCN9AALDH1A1
SCHEMBL14253459 0.90 NR1I2 (0.43) NR1I2PRKCAMMP12SCN9AALDH1A1
SCHEMBL14253884 0.90 PRKCA (0.43) NR1I2PRKCAMMP12SCN9AALDH1A1
SCHEMBL14253793 0.89 NR1I2 (0.49) NR1I2PRKCAMMP12SCN9AALDH1A1
SCHEMBL14434987 0.88 NR1I2 (0.49) NR1I2PRKCAMMP12SCN9ACNR1
SCHEMBL13940153 0.88 NR1I2 (0.47) NR1I2PRKCAMMP12SCN9AALDH1A1
SCHEMBL13936827 0.88 POLB (0.40) NR1I2PRKCAMMP12SCN9APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1987038-B1 HCV NS5B INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2010-10-06 EP disclosed
US-7348425-B2 Inhibitors of HCV replication BRISTOL-MYERS SQUIBB COMPANY (US) 2008-03-25 US disclosed
US-7348425-B2 Inhibitors of HCV replication BRISTOL-MYERS SQUIBB COMPANY (US) 2008-03-25 US disclosed
WO-2007092000-A1 INHIBITORS OF HCV REPLICATION BRISTOL-MYERS SQUIBB COMPANY (US) 2007-08-16 WO disclosed
WO-2007092000-A1 INHIBITORS OF HCV REPLICATION BRISTOL-MYERS SQUIBB COMPANY (US) 2007-08-16 WO disclosed
US-7153848-B2 Inhibitors of HCV replication BRISTOL-MYERS SQUIBB COMPANY (US) 2006-12-26 US disclosed
US-20060046983-A1 Inhibitors of HCV replication BRISTOL-MYERS SQUIBB COMPANY 2006-03-02 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-20060046983-A1 Inhibitors of HCV replication EIF2AK2, HCCS, IDO1 NR1I2 1013/4885PRKCA 3479/4885MMP12 3512/4885

“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.