SCHEMBL7875840

SCHEMBL7875840

C=CCCCCC[C@H](Nc1ccc(F)c(C(F)(F)F)c1)C(=O)OC

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.38
UBE2M P61081 1/20 0.36
DCUN1D1 Q96GG9 1/20 0.36
GRM4 Q14833 1/20 0.35
SLC22A12 Q96S37 1/20 0.34
KCNN4 O15554 1/20 0.34
BRAF P15056 1/20 0.34
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL1128387 1.00 AR (0.38) ARUBE2MDCUN1D1GRM4SLC22A12
SCHEMBL1128639 0.88 AR (0.40) ARUBE2MDCUN1D1GRM4SLC22A12
SCHEMBL7866754 0.88 AR (0.40) ARUBE2MDCUN1D1GRM4SLC22A12
SCHEMBL1129211 0.88 MAPT (0.40) ALDH1A1MAPT
SCHEMBL7872227 0.88 MAPT (0.40) ALDH1A1MAPT
SCHEMBL12775058 0.86
SCHEMBL1496387 0.86 KCNN4 (0.36) KCNN4
SCHEMBL12793131 0.86 KCNN4 (0.36) KCNN4
SCHEMBL1496430 0.84 EPHX2 (0.46) KCNN4
SCHEMBL12793125 0.84 EPHX2 (0.46) KCNN4

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 7 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-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
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
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 AR 3990/4885UBE2M 2320/4885DCUN1D1 3693/4885
US-20110059047-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION EIF2AK2, HAVCR2, ZC3HAV1 AR 3990/4885UBE2M 2320/4885DCUN1D1 3693/4885

“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.