SCHEMBL5897268

SCHEMBL5897268

O=C(CCC1CCCC1)N/C(=C/c1ccc(Oc2ccc(F)cc2Cl)cc1)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
FFAR1 O14842 2/20 0.41
HPGD P15428 3/20 0.39
PTGDR2 Q9Y5Y4 4/20 0.38
NPSR1 Q6W5P4 1/20 0.37
KLK7 P49862 1/20 0.37
PNLIP P16233 1/20 0.36
ALDH1A1 P00352 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
KDM4E B2RXH2 1/20 0.36
PTGES O14684 1/20 0.35
ALOX5 P09917 1/20 0.35
BTK Q06187 2/20 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
SCHEMBL5897262 1.00 NPC1 (0.43) NPC1RAB9AFFAR1HPGDPTGDR2
SCHEMBL5897273 1.00 NPC1 (0.43) NPC1RAB9AFFAR1HPGDPTGDR2
SCHEMBL5895486 0.91 FFAR1 (0.51) NPC1RAB9AFFAR1HPGDPTGDR2
SCHEMBL5895496 0.91 FFAR1 (0.51) NPC1RAB9AFFAR1HPGDPTGDR2
SCHEMBL5895506 0.91 FFAR1 (0.51) NPC1RAB9AFFAR1HPGDPTGDR2
SCHEMBL5895908 0.89 NPSR1 (0.44) NPC1RAB9AFFAR1HPGDPTGDR2
SCHEMBL5896356 0.89 HPGD (0.39) NPC1RAB9AFFAR1HPGDNPSR1
SCHEMBL5895900 0.89 NPSR1 (0.44) NPC1RAB9AFFAR1HPGDPTGDR2
SCHEMBL5895799 0.89 NPSR1 (0.39) NPC1RAB9AFFAR1HPGDNPSR1
SCHEMBL5896363 0.89 HPGD (0.39) NPC1RAB9AFFAR1HPGDNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7041690-B2 Inhibitors of HCV NS5B polymerase PHARMACIA & UPJOHN COMPANY, LLC (US) 2006-05-09 US disclosed
US-20060004063-A1 Inhibitors of HCV NS5B polymerase PHARMACIA & UPJOHN COMPANY, LLC 2006-01-05 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 (1 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-20060004063-A1 Inhibitors of HCV NS5B polymerase POLRMT, EIF5B, POLI NPC1 131/4885RAB9A 1149/4885FFAR1 3738/4885

“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.