SCHEMBL1128799

SCHEMBL1128799

C=CCCCCCC(Nc1cccc(C(F)(F)F)c1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.47
TP53 P04637 1/20 0.47
TGM2 P21980 1/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 4/20 0.45
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
MMP2 P08253 1/20 0.44
MAPT P10636 5/20 0.43
MEN1 O00255 5/20 0.43
KMT2A Q03164 5/20 0.43
HTT P42858 3/20 0.43
RAB9A P51151 1/20 0.43
LMNA P02545 3/20 0.43
GAA P10253 2/20 0.43
HDAC3 O15379 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43

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
SCHEMBL1537640 1.00 SMN1; SMN2 (0.47) SMN1; SMN2TP53TGM2KDM4EALDH1A1
SCHEMBL1128666 0.88 GAA (0.48) SMN1; SMN2TP53TGM2KDM4EALDH1A1
SCHEMBL7876001 0.88 GAA (0.48) SMN1; SMN2TP53TGM2KDM4EALDH1A1
SCHEMBL1496419 0.86 TGM2 (0.45) SMN1; SMN2TP53TGM2CA12CA1
SCHEMBL1129062 0.86 TGM2 (0.45) SMN1; SMN2TP53TGM2CA12CA1
SCHEMBL1128875 0.85 FOLH1 (0.47) TGM2KDM4ECA12MMP2MEN1
SCHEMBL1496433 0.85 FOLH1 (0.47) TGM2KDM4ECA12MMP2MEN1
SCHEMBL1128469 0.84 TGM2 (0.36) SMN1; SMN2TP53TGM2ALDH1A1LMNA
SCHEMBL1128896 0.84 TGM2 (0.36) SMN1; SMN2TP53TGM2ALDH1A1LMNA
SCHEMBL1128646 0.84 EPHX2 (0.39) TGM2ALDH1A1MAPTHTTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8048862-B2 Macrocyclic inhibitors of hepatitis C virus replication INTERMUNE, INC. (US) 2011-11-01 US disclosed
US-20110059047-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2011-03-10 US disclosed
EP-2282762-A2 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION Intermune, Inc. (US) 2011-02-16 EP disclosed
WO-2009142842-A9 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2010-11-25 WO disclosed
WO-2009142842-A2 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2009-11-26 WO disclosed
US-20090269305-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2009-10-29 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 (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-20090269305-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION EIF2AK2, HAVCR2, ZC3HAV1 SMN1; SMN2 4012/4885TP53 1652/4885TGM2 771/4885
US-20110059047-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION EIF2AK2, HAVCR2, ZC3HAV1 SMN1; SMN2 4012/4885TP53 1652/4885TGM2 771/4885

“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.