SCHEMBL6668020

SCHEMBL6668020

Cc1cc(C(=O)OC(C)(C)C)ccc1-c1ccc(C#N)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.45
GABRG2 P18507 1/20 0.45
GABRB3 P28472 1/20 0.45
GABRA3 P34903 1/20 0.45
GABRA2 P47869 1/20 0.45
NSD2 O96028 1/20 0.45
GPR119 Q8TDV5 1/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
HSD17B1 P14061 1/20 0.40
KDM1A O60341 7/20 0.40
HRH2 P25021 1/20 0.39
HRH1 P35367 1/20 0.39
MAP4K4 O95819 2/20 0.38
MINK1 Q8N4C8 1/20 0.38
TNIK Q9UKE5 1/20 0.38
SLC22A12 Q96S37 2/20 0.38

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
SCHEMBL6924636 0.85 SLC2A1 (0.51) NSD2CA12CA1CA2CA9
SCHEMBL20512852 0.83 GABRA1 (0.44) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL1132317 0.82 CNR1 (0.44) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL2671976 0.81 CA1 (0.50) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL6644495 0.80 SLC22A12 (0.56) NSD2CA1CA2HSD17B1KDM1A
SCHEMBL6668052 0.77 EGLN1 (0.51) NSD2HSD17B1KDM1AMAP4K4MINK1
SCHEMBL31188345 0.77 CA12 (0.50) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL14966320 0.75 PARP15 (0.59) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL7754817 0.75 MAP4K4 (0.52) NSD2HSD17B1HRH2HRH1MAP4K4
SCHEMBL10164134 0.75 GABRA1 (0.42) GABRA1GABRG2GABRB3GABRA3GABRA2

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
EP-1429759-A4 COMPOUNDS USEFUL FOR TREATING HEPATITUS C VIRUS BRISTOL MYERS SQUIBB CO (US) 2004-12-15 EP disclosed
US-6803374-B2 INHIBIT THE RNA-DEPENDENT RNA POLYMERASE (RDRP) ENCODED BY HEPATITIS C BRISTOL-MYERS SQUIBB COMPANY 2004-10-12 US disclosed
EP-1429759-A2 COMPOUNDS USEFUL FOR TREATING HEPATITUS C VIRUS Bristol-Myers Squibb Company (US) 2004-06-23 EP disclosed
US-20040067976-A1 Compounds useful for treating Hepatitis C virus PRIESTLEY ELDON SCOTT (US) 2004-04-08 US disclosed
US-20030134853-A1 Compounds useful for treating hepatitis C virus BRISTOL-MYERS SQUIBB COMPANY 2003-07-17 US disclosed
WO-2003026587-A2 COMPOUNDS USEFUL FOR TREATING HEPATITUS C VIRUS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-04-03 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 (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-20040067976-A1 Compounds useful for treating Hepatitis C virus OAT, HAVCR2, GOT1 GABRA1 4097/4885GABRG2 3996/4885GABRB3 3324/4885
US-20030134853-A1 Compounds useful for treating hepatitis C virus OAT, HAVCR2, GOT1 GABRA1 4097/4885GABRG2 3996/4885GABRB3 3324/4885

“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.