SCHEMBL2124146

SCHEMBL2124146

COC(=O)c1ccc(N)cc1OCCCCl

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.54
CYP1A2 P05177 2/20 0.51
CYP2D6 P10635 1/20 0.51
SCN1A P35498 1/20 0.51
SCN2A Q99250 1/20 0.51
SCN3A Q9NY46 1/20 0.51
ALDH1A1 P00352 5/20 0.46
ABL1 P00519 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
MAPT P10636 4/20 0.44
HSP90AA1 P07900 2/20 0.44
HTT P42858 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
HPGD P15428 3/20 0.43
KDM4E B2RXH2 3/20 0.43
HSD17B10 Q99714 3/20 0.43
GLA P06280 1/20 0.43
CASP1 P29466 1/20 0.43
CASP7 P55210 1/20 0.43
ATM Q13315 1/20 0.43

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
SCHEMBL15295021 0.90 CYP1A2 (0.59) GAACYP1A2CYP2D6SCN1ASCN2A
SCHEMBL6829337 0.87 GAA (0.55) GAACYP1A2CYP2D6SCN1ASCN2A
SCHEMBL26985201 0.87 GAA (0.55) GAACYP1A2CYP2D6SCN1ASCN2A
SCHEMBL2337419 0.83 TDP1 (0.62) GAACYP1A2CYP2D6SCN1ASCN2A
SCHEMBL1734232 0.81 CYP2D6 (0.73) GAACYP1A2CYP2D6SCN1ASCN2A
SCHEMBL479421 0.81 GAA (0.55) GAACYP1A2CYP2D6SCN1ASCN2A
SCHEMBL12121313 0.79 HTR2A (0.52) GAACYP1A2CYP2D6SCN1ASCN2A
SCHEMBL224165 0.79 ALDH1A1 (0.71) GAAALDH1A1ABL1MAPTHTT
SCHEMBL2120359 0.79 CA1 (0.52) GAACYP1A2CYP2D6SCN1ASCN2A
SCHEMBL7981719 0.78 MAPT (0.62) GAACYP1A2ALDH1A1MAPTHSP90AA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2566872-B1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C BRISTOL MYERS SQUIBB CO (US) 2014-12-24 EP disclosed
EP-2566872-B1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C BRISTOL MYERS SQUIBB CO (US) 2014-12-24 EP disclosed
US-8741884-B2 Compounds for the treatment of hepatitis C BRISTOL-MYERS SQUIBB COMPANY (US) 2014-06-03 US disclosed
US-8741884-B2 Compounds for the treatment of hepatitis C BRISTOL-MYERS SQUIBB COMPANY (US) 2014-06-03 US disclosed
US-8741884-B2 Compounds for the treatment of hepatitis C BRISTOL-MYERS SQUIBB COMPANY (US) 2014-06-03 US disclosed
EP-2566872-A1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C Bristol-Myers Squibb Company (US) 2013-03-13 EP disclosed
US-20120093767-A1 Compounds for the Treatment of Hepatitis C BRISTOL-MYERS SQUIBB COMPANY 2012-04-19 US disclosed
US-20120093767-A1 Compounds for the Treatment of Hepatitis C BRISTOL-MYERS SQUIBB COMPANY 2012-04-19 US disclosed
US-20120093767-A1 Compounds for the Treatment of Hepatitis C BRISTOL-MYERS SQUIBB COMPANY 2012-04-19 US disclosed
WO-2011139513-A1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C BRISTOL-MYERS SQUIBB COMPANY (US) 2011-11-10 WO disclosed
WO-2011139513-A1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C BRISTOL-MYERS SQUIBB COMPANY (US) 2011-11-10 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 (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-20120093767-A1 Compounds for the Treatment of Hepatitis C HAVCR2, SLC10A1, HCCS GAA 108/4885CYP1A2 345/4885CYP2D6 300/4885

“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.