SCHEMBL1128627

SCHEMBL1128627

C=CCCCCCC(Nc1cc(F)cc(F)c1)C(=O)OC

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
LMNA P02545 1/20 0.39
USP2 O75604 1/20 0.38
CYP3A4 P08684 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NOS3 P29474 2/20 0.34
NOS1 P29475 2/20 0.34
NOS2 P35228 2/20 0.34
TRPV1 Q8NER1 1/20 0.34
CYP2D6 P10635 1/20 0.34
KCNH2 Q12809 1/20 0.34

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
SCHEMBL7872236 1.00 ALDH1A1 (0.39) ALDH1A1LMNAUSP2CYP3A4MAPT
SCHEMBL12775051 0.93 ALDH1A1 (0.36) ALDH1A1LMNAUSP2CYP3A4MAPT
SCHEMBL7872228 0.90 S1PR2 (0.38) ALDH1A1LMNAUSP2CYP3A4MAPT
SCHEMBL1128769 0.90 S1PR2 (0.38) ALDH1A1LMNAUSP2CYP3A4MAPT
SCHEMBL1537630 0.88 ALDH1A1 (0.39) ALDH1A1LMNAMAPTSMN1; SMN2CYP2D6
SCHEMBL1128485 0.88 ALDH1A1 (0.39) ALDH1A1LMNAMAPTSMN1; SMN2CYP2D6
SCHEMBL1128583 0.88 ALDH1A1 (0.33) ALDH1A1LMNAUSP2CYP3A4MAPT
SCHEMBL1128578 0.88 ALDH1A1 (0.33) ALDH1A1LMNAUSP2CYP3A4MAPT
SCHEMBL1128858 0.88 NOS2 (0.41) ALDH1A1LMNAUSP2CYP3A4MAPT
SCHEMBL7876004 0.88 NOS2 (0.41) ALDH1A1LMNAUSP2CYP3A4MAPT

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 ALDH1A1 2635/4885LMNA 1725/4885USP2 2540/4885
US-20110059047-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION EIF2AK2, HAVCR2, ZC3HAV1 ALDH1A1 2635/4885LMNA 1725/4885USP2 2540/4885

“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.