SCHEMBL1636007

SCHEMBL1636007

CC(C)C(Nc1ccc(F)cc1)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 2/20 0.53
MAPK1 P28482 1/20 0.53
MMP1 P03956 1/20 0.53
MMP3 P08254 1/20 0.53
MMP7 P09237 1/20 0.53
MMP9 P14780 1/20 0.53
MMP13 P45452 1/20 0.53
CA12 O43570 1/20 0.46
DGAT1 O75907 2/20 0.45
FPR2 P25090 1/20 0.45
CSGALNACT1 Q8TDX6 1/20 0.44
GAA P10253 2/20 0.42
LMNA P02545 1/20 0.42
HPGD P15428 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MEN1 O00255 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL1636005 1.00 MMP2 (0.53) MMP2MAPK1MMP1MMP3MMP7
SCHEMBL11062013 0.84 MMP2 (0.44) MMP2MAPK1MMP1MMP3MMP7
SCHEMBL11196494 0.83 ADAMTS4 (0.51) MMP2MMP9CA12FPR2GAA
SCHEMBL11193293 0.83 MMP9 (0.51) MMP2MMP1MMP3MMP7MMP9
SCHEMBL11193286 0.83 MMP9 (0.51) MMP2MMP1MMP3MMP7MMP9
SCHEMBL11196490 0.83 ADAMTS4 (0.51) MMP2MMP9CA12FPR2GAA
SCHEMBL2159137 0.82 LMNA (0.59) MMP2MMP1MMP3MMP7MMP9
SCHEMBL8745550 0.82 LMNA (0.59) MMP2MMP1MMP3MMP7MMP9
SCHEMBL2159141 0.82 LMNA (0.59) MMP2MMP1MMP3MMP7MMP9
SCHEMBL11061860 0.81 MMP2 (0.53) MMP2MAPK1MMP1MMP3MMP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7932277-B2 Peptide inhibitors of hepatitis C virus replication INTERMUNE, INC. (US) 2011-04-26 US disclosed
EP-2185524-A1 NOVEL PEPTIDE INHIBITORS OF HEPATITIS C VIRUS REPLICATION Intermune, Inc. (US) 2010-05-19 EP disclosed
CN-101679277-A Novel peptide inhibitors of hepatitis c virus replication INTERMUNE INC 2010-03-24 CN disclosed
US-20090297476-A1 NOVEL PEPTIDE INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2009-12-03 US disclosed
WO-2008141227-A1 NOVEL PEPTIDE INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2008-11-20 WO disclosed
US-4464307-A Substituted acid chloride process ZOECON CORPORATION (US) 1984-08-07 US disclosed
US-4411912-A Insecticidal isovaleric acid esters ZOECON CORPORATION (US) 1983-10-25 US disclosed
US-4243819-A Substituted amino acids ZOECON CORPORATION (US) 1981-01-06 US disclosed
US-4231953-A Fluoro substituted aryl esters and thiolesters of amino acids ZOECON CORPORATION (US) 1980-11-04 US disclosed
US-4226872-A Pyridyl esters of α-substituted amino acids ZOECON CORPORATION (US) 1980-10-07 US disclosed
US-4200758-A 2,4-Imidazolidinedionylmethyl esters and thiolesters of anilino acids ZOECON CORPORATION (US) 1980-04-29 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 (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-20090297476-A1 NOVEL PEPTIDE INHIBITORS OF HEPATITIS C VIRUS REPLICATION VIP, HDGF, EIF2AK2 MMP2 794/4885MAPK1 977/4885MMP1 756/4885

“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.