SCHEMBL1630378

SCHEMBL1630378

COC(=O)C(NCCC(C)(C)C)[C@H](C)OCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 2/20 0.46
MMP8 P22894 2/20 0.46
TRPM8 Q7Z2W7 1/20 0.44
MMP1 P03956 1/20 0.41
MAPT P10636 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
RCE1 Q9Y256 1/20 0.39
ALDH1A1 P00352 1/20 0.39
KLK5 Q9Y337 1/20 0.38
ANPEP P15144 1/20 0.38
MBOAT4 Q96T53 1/20 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
SCHEMBL1630377 1.00 MMP9 (0.46) MMP9MMP8TRPM8MMP1MAPT
SCHEMBL1630380 1.00 MMP9 (0.46) MMP9MMP8TRPM8MMP1MAPT
SCHEMBL19602425 0.81 MMP9 (0.52) MMP9MMP8TRPM8MMP1MAPT
SCHEMBL24814077 0.79 MMP9 (0.53) MMP9MMP8TRPM8MMP1MAPT
SCHEMBL30751663 0.79 MMP9 (0.53) MMP9MMP8TRPM8MMP1MAPT
SCHEMBL9545042 0.79 KLK5 (0.54) MMP9MMP8TRPM8MAPTMEN1
SCHEMBL30751650 0.79 KLK5 (0.54) MMP9MMP8TRPM8MAPTMEN1
SCHEMBL24814238 0.79 KLK5 (0.54) MMP9MMP8TRPM8MAPTMEN1
SCHEMBL9545038 0.79 KLK5 (0.54) MMP9MMP8TRPM8MAPTMEN1
SCHEMBL1774282 0.78 MMP9 (0.47) MMP9MMP8TRPM8MMP1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2183260-B1 PHOSPHADIAZINE HCV POLYMERASE INHIBITORS IV IDENIX PHARMACEUTICALS INC (US) 2011-06-01 EP disclosed
US-7932240-B2 Phosphadiazine HCV polymerase inhibitors IV IDENIX PHARMACEUTICALS, INC. (US) 2011-04-26 US disclosed
EP-2183260-A1 PHOSPHADIAZINE HCV POLYMERASE INHIBITORS IV IDENIX Pharmaceuticals, Inc. (US) 2010-05-12 EP disclosed
US-20090081158-A1 PHOSPHADIAZINE HCV POLYMERASE INHIBITORS IV IDENIX PHARMACEUTICALS, INC. (US) 2009-03-26 US disclosed
WO-2009032180-A1 PHOSPHADIAZINE HCV POLYMERASE INHIBITORS IV IDENIX PHARMACEUTICALS, INC. (US) 2009-03-12 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-20090081158-A1 PHOSPHADIAZINE HCV POLYMERASE INHIBITORS IV POLI, ITPA, POLR2H MMP9 2888/4885MMP8 1306/4885TRPM8 4762/4885

“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.