SCHEMBL5963476

SCHEMBL5963476

CC(C)(C)OC(=O)c1ccc(CC#N)c(Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.41
GABRG2 P18507 1/20 0.41
GABRB3 P28472 1/20 0.41
GABRA3 P34903 1/20 0.41
GABRA2 P47869 1/20 0.41
STAT3 P40763 1/20 0.39
EPHX2 P34913 2/20 0.38
NR1H4 Q96RI1 2/20 0.38
SLC7A5 Q01650 1/20 0.38
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
CA14 Q9ULX7 1/20 0.37
IDO1 P14902 2/20 0.36
SRD5A1 P18405 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
NR3C2 P08235 1/20 0.35
BUB1 O43683 1/20 0.35
NR1H2 P55055 1/20 0.35

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
SCHEMBL31161847 0.84 ALDH1A1 (0.47) CA12CA1CA2CA9CA14
SCHEMBL19330876 0.84 ALDH1A1 (0.47) CA12CA1CA2CA9CA14
SCHEMBL11811926 0.81 EPHX2 (0.40) EPHX2NR1H4ALOX15TAS1R3TAS1R1
SCHEMBL2480129 0.81 STAT3 (0.41) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL2130053 0.81 STAT3 (0.44) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL27312730 0.79 CA12 (0.40) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL6681859 0.77 KMT2A (0.43) CA12CA1CA9IDO1SMN1; SMN2
SCHEMBL5832729 0.77 TSHR (0.36) EPHX2NR1H4ALOX15TAS1R3TAS1R1
SCHEMBL5963897 0.77 TSHR (0.53) EPHX2NR1H4SMN1; SMN2ALOX15
SCHEMBL1368363 0.76 GPR119 (0.48) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7119073-B2 Peptides and their use as inhibitors of hepatitis C virus ns3 protease ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2006-10-10 US disclosed
US-20040142876-A1 Peptides and their use as inhibitors of hepatitis c virus ns3 protease ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P ANGELETTI SPA (IT) 2004-07-22 US disclosed
EP-1392721-A1 PEPTIDES AND THEIR USE AS INHIBITORS OF HEPATITIS C VIRUS NS3 PROTEASE ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2004-03-03 EP disclosed
WO-2002079234-A1 PEPTIDES AND THEIR USE AS INHIBITORS OF HEPATITIS C VIRUS NS3 PROTEASE ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2002-10-10 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-20040142876-A1 Peptides and their use as inhibitors of hepatitis c virus ns3 protease CTRL, VIP, CTSC GABRA1 3788/4885GABRG2 3479/4885GABRB3 3386/4885

“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.