SCHEMBL1634808

SCHEMBL1634808

CC(C)(C)[C@H](Nc1cccc(C(F)(F)F)c1)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.56
KDM4E B2RXH2 1/20 0.56
CA12 O43570 1/20 0.55
CA1 P00915 1/20 0.55
MMP2 P08253 1/20 0.55
MAPT P10636 3/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
HTT P42858 2/20 0.54
RAB9A P51151 1/20 0.54
TP53 P04637 2/20 0.51
ALDH1A1 P00352 5/20 0.49
CYP1A2 P05177 2/20 0.49
CYP3A4 P08684 2/20 0.49
CYP2C9 P11712 2/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C19 P33261 1/20 0.49
POLB P06746 1/20 0.49
LMNA P02545 2/20 0.49
GAA P10253 1/20 0.49

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
SCHEMBL1634810 1.00 SMN1; SMN2 (0.56) SMN1; SMN2KDM4ECA12CA1MMP2
SCHEMBL3478958 0.86 MAPT (0.53) SMN1; SMN2KDM4ECA12CA1MMP2
SCHEMBL883331 0.85 CA12 (0.51) SMN1; SMN2KDM4ECA12CA1MMP2
SCHEMBL11206190 0.82 NPSR1 (0.60) SMN1; SMN2KDM4ECA12CA1MMP2
SCHEMBL11206192 0.82 NPSR1 (0.60) SMN1; SMN2KDM4ECA12CA1MMP2
SCHEMBL29446980 0.82 SMN1; SMN2 (0.70) SMN1; SMN2KDM4ECA12CA1MMP2
SCHEMBL18838552 0.82 SMN1; SMN2 (0.70) SMN1; SMN2KDM4ECA12CA1MMP2
SCHEMBL3042876 0.82 MMP2 (0.50) SMN1; SMN2KDM4ECA12MMP2MEN1
SCHEMBL837824 0.82 SMN1; SMN2 (0.70) SMN1; SMN2KDM4ECA12CA1MMP2
SCHEMBL13224065 0.82 MMP2 (0.50) SMN1; SMN2KDM4ECA12MMP2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120095211-A1 SUBSTITUTED PROLINE INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2012-04-19 US disclosed
WO-2012040242-A1 SUBSTITUTED PROLINE INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2012-03-29 WO disclosed
US-7932277-B2 Peptide inhibitors of hepatitis C virus replication INTERMUNE, INC. (US) 2011-04-26 US disclosed
US-7932277-B2 Peptide inhibitors of hepatitis C virus replication INTERMUNE, INC. (US) 2011-04-26 US disclosed
US-7932277-B2 Peptide inhibitors of hepatitis C virus replication INTERMUNE, INC. (US) 2011-04-26 US disclosed
US-20100119479-A1 THERAPEUTIC ANTIVIRAL PEPTIDES INTERMUNE, INC. (US) 2010-05-13 US disclosed
US-20100119479-A1 THERAPEUTIC ANTIVIRAL PEPTIDES INTERMUNE, INC. (US) 2010-05-13 US disclosed
WO-2010045266-A1 THERAPEUTIC ANTIVIRAL PEPTIDES INTERMUNE, INC. (US) 2010-04-22 WO disclosed
US-20090297476-A1 NOVEL PEPTIDE INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2009-12-03 US disclosed
US-20090297476-A1 NOVEL PEPTIDE INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2009-12-03 US 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-20120095211-A1 SUBSTITUTED PROLINE INHIBITORS OF HEPATITIS C VIRUS REPLICATION VIP, EIF2AK2, PREP SMN1; SMN2 3001/4885KDM4E 695/4885CA12 4056/4885
US-20090297476-A1 NOVEL PEPTIDE INHIBITORS OF HEPATITIS C VIRUS REPLICATION VIP, HDGF, EIF2AK2 SMN1; SMN2 3164/4885KDM4E 2989/4885CA12 3722/4885
US-20100119479-A1 THERAPEUTIC ANTIVIRAL PEPTIDES SARS1, VIP, MAVS SMN1; SMN2 2541/4885KDM4E 4649/4885CA12 3218/4885

“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.