SCHEMBL1128779

SCHEMBL1128779

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

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TAS2R14 Q9NYV8 1/20 0.39
TGM2 P21980 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34
ALDH1A1 P00352 2/20 0.34
TACR1 P25103 2/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.32
GPR35 Q9HC97 1/20 0.32
RAPGEF4 Q8WZA2 1/20 0.32

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
SCHEMBL1128776 1.00 TAS2R14 (0.39) TAS2R14TGM2SMN1; SMN2TP53MAPT
SCHEMBL1537642 0.89 TAS2R14 (0.35) TAS2R14TGM2SMN1; SMN2MAPTALDH1A1
SCHEMBL1537643 0.89 TAS2R14 (0.35) TAS2R14TGM2SMN1; SMN2MAPTALDH1A1
SCHEMBL12775105 0.88 MAPT (0.36) TGM2SMN1; SMN2MAPTALDH1A1LMNA
SCHEMBL1128896 0.88 TGM2 (0.36) TGM2SMN1; SMN2TP53ALDH1A1TACR1
SCHEMBL1128469 0.88 TGM2 (0.36) TGM2SMN1; SMN2TP53ALDH1A1TACR1
SCHEMBL1537625 0.87 SLC13A3 (0.40) TGM2SMN1; SMN2TP53TACR1LMNA
SCHEMBL1537623 0.87 SLC13A3 (0.40) TGM2SMN1; SMN2TP53TACR1LMNA
SCHEMBL12775050 0.85 CYP2D6 (0.35) TGM2MAPTALDH1A1LMNA
SCHEMBL1537640 0.83 SMN1; SMN2 (0.47) TGM2SMN1; SMN2TP53MAPTALDH1A1

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 TAS2R14 4237/4885TGM2 771/4885SMN1; SMN2 4012/4885
US-20110059047-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION EIF2AK2, HAVCR2, ZC3HAV1 TAS2R14 4237/4885TGM2 771/4885SMN1; SMN2 4012/4885

“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.