SCHEMBL3214499

SCHEMBL3214499

CCC[C@H](NC(=O)O)C(O)C(=O)NCC(=O)N[C@H](C)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GPR139 Q6DWJ6 15/20 0.54
TAOK1 Q7L7X3 1/20 0.48
TAOK3 Q9H2K8 1/20 0.48
POLB P06746 1/20 0.48
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
ATM Q13315 1/20 0.46

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
SCHEMBL14450749 0.86 GPR139 (0.58) GPR139TAOK1TAOK3POLBMEN1
SCHEMBL13688435 0.86 CTSK (0.53) GPR139TAOK1TAOK3POLB
SCHEMBL3213229 0.85 MMP2 (0.46) GPR139MEN1KMT2AATM
SCHEMBL3220240 0.85 GPR88 (0.45) GPR139POLBMEN1KMT2AATM
SCHEMBL14601750 0.85 GPR139 (0.46) GPR139TAOK1TAOK3POLBMEN1
SCHEMBL13688417 0.84 GPR139 (0.55) GPR139TAOK1TAOK3POLBMEN1
Hydrochloric Acid SCHEMBL3215065 0.83 GPR139 (0.54) GPR139TAOK1TAOK3POLBMEN1
SCHEMBL13707732 0.83 GPR139 (0.44) GPR139TAOK1TAOK3POLBMEN1
SCHEMBL13707733 0.82 GPR139 (0.43) GPR139TAOK1TAOK3POLBMEN1
SCHEMBL4820525 0.80 POLB (0.67) POLBMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130303547-A1 HCV Protease Inhibitors and Uses Thereof ABBVIE INC (US) 2013-11-14 US disclosed
US-8497275-B2 HCV protease inhibitors and uses thereof ABBVIE INC. (US) 2013-07-30 US disclosed
US-20100029686-A1 HCV PROTEASE INHIBITORS AND USES THEREOF ABBOTT LABORATORIES (US) 2010-02-04 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 (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-20130303547-A1 HCV Protease Inhibitors and Uses Thereof SERPINB1, PEPD, PREP GPR139 4777/4885TAOK1 3739/4885TAOK3 4061/4885
US-20100029686-A1 HCV PROTEASE INHIBITORS AND USES THEREOF SERPINB1, PEPD, PREP GPR139 4777/4885TAOK1 3739/4885TAOK3 4061/4885

“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.