SCHEMBL3223600

SCHEMBL3223600

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

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GPR88 Q9GZN0 3/20 0.47
METAP2 P50579 8/20 0.40
METAP1 P53582 7/20 0.40
LAP3 P28838 2/20 0.39
ANPEP P15144 1/20 0.39
RNPEP Q9H4A4 1/20 0.39
DNPEP Q9ULA0 1/20 0.39
ATM Q13315 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
GPR139 Q6DWJ6 1/20 0.37
TACR3 P29371 1/20 0.36
AOC3 Q16853 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
SCHEMBL13688424 1.00 GPR88 (0.47) GPR88METAP2METAP1LAP3ANPEP
Hydrochloric Acid SCHEMBL3207943 0.89 GPR88 (0.39) GPR88METAP2METAP1
SCHEMBL13770899 0.88 METAP2 (0.42) GPR88METAP2METAP1LAP3ANPEP
SCHEMBL14401963 0.87 ANPEP (0.42) GPR88METAP2METAP1LAP3ANPEP
Hydrochloric Acid SCHEMBL3224125 0.87 GPR88 (0.43) GPR88METAP2ATMAOC3
Hydrochloric Acid SCHEMBL3210982 0.87 GPR88 (0.46) GPR88METAP2METAP1LAP3ANPEP
Hydrochloric Acid SCHEMBL3207851 0.86 MMP2 (0.46) GPR88METAP2METAP1LAP3ANPEP
SCHEMBL13688833 0.84 METAP2 (0.45) GPR88METAP2METAP1ATMMEN1
SCHEMBL13688431 0.84 METAP2 (0.45) GPR88METAP2METAP1ATMMEN1
SCHEMBL13770906 0.84 METAP2 (0.39) GPR88METAP2METAP1LAP3ANPEP

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 GPR88 4090/4885METAP2 150/4885METAP1 51/4885
US-20100029686-A1 HCV PROTEASE INHIBITORS AND USES THEREOF SERPINB1, PEPD, PREP GPR88 4090/4885METAP2 150/4885METAP1 51/4885

“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.