Sugi Predict

Sugi Predict / Compounds / SCHEMBL7872228

SCHEMBL7872228

SCHEMBL7872228

C=CCCCCC[C@H](Nc1cc(F)cc(C(F)(F)F)c1)C(=O)OC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ S1PR2 O95136 1/20 0.38
▸ NOS3 P29474 3/20 0.37
▸ NOS1 P29475 3/20 0.37
▸ NOS2 P35228 3/20 0.37
▸ UBE2M P61081 1/20 0.34
▸ DCUN1D1 Q96GG9 1/20 0.34
▸ ALDH1A1 P00352 3/20 0.34
▸ LMNA P02545 2/20 0.34
▸ MAPT P10636 2/20 0.34
▸ GAA P10253 1/20 0.34
▸ USP2 O75604 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ TGM2 P21980 2/20 0.33
▸ SCN9A Q15858 1/20 0.33
▸ HDAC3 O15379 1/20 0.33
▸ HDAC1 Q13547 1/20 0.33
▸ HDAC2 Q92769 1/20 0.33
▸ HDAC6 Q9UBN7 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
SCHEMBL1128769 1.00 S1PR2 (0.38) S1PR2NOS3NOS1NOS2UBE2M
SCHEMBL1128627 0.90 ALDH1A1 (0.39) NOS3NOS1NOS2ALDH1A1LMNA
SCHEMBL7872236 0.90 ALDH1A1 (0.39) NOS3NOS1NOS2ALDH1A1LMNA
SCHEMBL1537642 0.89 TAS2R14 (0.35) NOS3NOS1NOS2ALDH1A1LMNA
SCHEMBL1537643 0.89 TAS2R14 (0.35) NOS3NOS1NOS2ALDH1A1LMNA
SCHEMBL1537651 0.88 SLC13A3 (0.42) NOS3NOS1NOS2ALDH1A1LMNA
SCHEMBL1537653 0.88 SLC13A3 (0.42) NOS3NOS1NOS2ALDH1A1LMNA
SCHEMBL1128896 0.88 TGM2 (0.36) S1PR2UBE2MDCUN1D1ALDH1A1LMNA
SCHEMBL1128469 0.88 TGM2 (0.36) S1PR2UBE2MDCUN1D1ALDH1A1LMNA
SCHEMBL12775051 0.86 ALDH1A1 (0.36) ALDH1A1LMNAMAPTUSP2CYP3A4

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 S1PR2 3105/4885NOS3 3706/4885NOS1 4084/4885
US-20110059047-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION EIF2AK2, HAVCR2, ZC3HAV1 S1PR2 3105/4885NOS3 3706/4885NOS1 4084/4885

“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.