Sugi Predict

Sugi Predict / Compounds / SCHEMBL4825640

SCHEMBL4825640

SCHEMBL4825640

C=CCn1c(-c2ccoc2C=C)c(C2CCCCC2)c2ccc(C(=O)OC)cc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.40
▸ HPGD P15428 3/20 0.40
▸ MAPT P10636 2/20 0.40
▸ SCN9A Q15858 3/20 0.39
▸ CHRM2 P08172 2/20 0.35
▸ CHRM4 P08173 2/20 0.35
▸ CHRM5 P08912 2/20 0.35
▸ CHRM1 P11229 2/20 0.35
▸ CHRM3 P20309 2/20 0.35
▸ ALDH1A1 P00352 6/20 0.35
▸ NPSR1 Q6W5P4 2/20 0.35
▸ ATM Q13315 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ CYP3A4 P08684 3/20 0.35
▸ CYP2C19 P33261 3/20 0.35
▸ CYP2C9 P11712 2/20 0.35
▸ LMNA P02545 2/20 0.35
▸ RXFP1 Q9HBX9 1/20 0.35
▸ PRKCA P17252 1/20 0.35
▸ MMP12 P39900 1/20 0.35

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
SCHEMBL14263513 0.88 SCN9A (0.36) SCN9ACYP3A4CYP2C19CYP2C9RXFP1
SCHEMBL3583062 0.84 PRKCA (0.41) KDM4EHPGDMAPTSCN9AALDH1A1
SCHEMBL3584923 0.82 PTGER4 (0.40) KDM4EHPGDMAPTSCN9AALDH1A1
SCHEMBL3589949 0.82 PRKCA (0.40) KDM4EHPGDMAPTSCN9AALDH1A1
SCHEMBL4829898 0.82 SCN9A (0.38) KDM4EHPGDMAPTSCN9AALDH1A1
SCHEMBL2277343 0.80 KCNH2 (0.40) HPGDMAPTSCN9AALDH1A1NPSR1
SCHEMBL2279301 0.80 KCNH2 (0.40) HPGDMAPTSCN9AALDH1A1NPSR1
SCHEMBL14253605 0.80 SCN9A (0.39) KDM4EHPGDMAPTSCN9AALDH1A1
SCHEMBL3572741 0.80 KDM4E (0.37) KDM4EHPGDMAPTSCN9AALDH1A1
SCHEMBL4827916 0.79 CNR2 (0.40) KDM4EHPGDMAPTNPSR1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7348425-B2 Inhibitors of HCV replication BRISTOL-MYERS SQUIBB COMPANY (US) 2008-03-25 — — US disclosed
US-7348425-B2 Inhibitors of HCV replication BRISTOL-MYERS SQUIBB COMPANY (US) 2008-03-25 — — US disclosed
WO-2007092000-A1 INHIBITORS OF HCV REPLICATION BRISTOL-MYERS SQUIBB COMPANY (US) 2007-08-16 — — WO disclosed
EP-1776368-A1 INHIBITORS OF HCV REPLICATION Bristol-Myers Squibb Company (US) 2007-04-25 — — EP disclosed
US-7153848-B2 Inhibitors of HCV replication BRISTOL-MYERS SQUIBB COMPANY (US) 2006-12-26 — — US disclosed
US-20060166964-A1 Inhibitors of HCV replication BRISTOL-MYERS SQUIBB COMPANY 2006-07-27 — — US disclosed
US-20060046983-A1 Inhibitors of HCV replication BRISTOL-MYERS SQUIBB COMPANY 2006-03-02 — — US disclosed
WO-2006020082-A1 INHIBITORS OF HCV REPLICATION BRISTOL-MYERS SQUIBB COMPANY (US) 2006-02-23 — — 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 (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-20060166964-A1 Inhibitors of HCV replication EIF2AK2, HCCS, IDO1 KDM4E 2251/4885HPGD 897/4885MAPT 4274/4885
US-20060046983-A1 Inhibitors of HCV replication EIF2AK2, HCCS, IDO1 KDM4E 2251/4885HPGD 897/4885MAPT 4274/4885

“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.