SCHEMBL3213229

SCHEMBL3213229

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

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 6/20 0.46
MMP9 P14780 6/20 0.46
MMP1 P03956 5/20 0.46
MMP3 P08254 5/20 0.46
MMP14 P50281 5/20 0.46
GPR88 Q9GZN0 8/20 0.45
AOC3 Q16853 1/20 0.39
GPR139 Q6DWJ6 1/20 0.38
ATM Q13315 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL3220240 0.89 GPR88 (0.45) GPR88AOC3GPR139ATMMEN1
SCHEMBL3214499 0.85 GPR139 (0.54) GPR139ATMMEN1KMT2A
Hydrochloric Acid SCHEMBL3207851 0.84 MMP2 (0.46) MMP2MMP9MMP1MMP3MMP14
SCHEMBL16349034 0.80 NPC1 (0.41) MMP2MMP9MMP1MMP3MMP14
SCHEMBL13770905 0.80 GPR88 (0.45) GPR88AOC3GPR139ATMMEN1
SCHEMBL3221057 0.79 GPR88 (0.45) GPR88MEN1KMT2A
SCHEMBL4781054 0.79 GPR88 (0.45) GPR88MEN1KMT2A
SCHEMBL3222168 0.78 GPR88 (0.40) GPR88
SCHEMBL4785164 0.78 GPR88 (0.40) GPR88
SCHEMBL10174287 0.78 CTSD (0.41) MMP2MMP9MMP1MMP3MMP14

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 MMP2 118/4885MMP9 250/4885MMP1 251/4885
US-20100029686-A1 HCV PROTEASE INHIBITORS AND USES THEREOF SERPINB1, PEPD, PREP MMP2 118/4885MMP9 250/4885MMP1 251/4885

“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.