SCHEMBL5895406

SCHEMBL5895406

COc1cccc(COc2ccc(/C=C(\NC(=O)c3ccccc3)C(=O)O)cc2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPHK2 Q9NRA0 2/20 0.53
SPHK1 Q9NYA1 2/20 0.53
RAB9A P51151 4/20 0.53
MRGPRX4 Q96LA9 3/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
TP53 P04637 2/20 0.53
PKM P14618 1/20 0.53
NFKB1 P19838 1/20 0.53
NFKB2 Q00653 1/20 0.53
RELA Q04206 1/20 0.53
RXFP1 Q9HBX9 1/20 0.53
ALDH1A1 P00352 5/20 0.53
LMNA P02545 3/20 0.53
NPC1 O15118 3/20 0.53
KDM4E B2RXH2 1/20 0.53
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
HPGD P15428 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50

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
SCHEMBL5895427 1.00 SPHK2 (0.53) SPHK2SPHK1RAB9AMRGPRX4SMN1; SMN2
SCHEMBL5895422 1.00 SPHK2 (0.53) SPHK2SPHK1RAB9AMRGPRX4SMN1; SMN2
SCHEMBL5896822 0.92 RAB9A (0.54) SPHK2SPHK1RAB9AMRGPRX4SMN1; SMN2
SCHEMBL5896828 0.92 RAB9A (0.54) SPHK2SPHK1RAB9AMRGPRX4SMN1; SMN2
SCHEMBL5896836 0.92 RAB9A (0.54) SPHK2SPHK1RAB9AMRGPRX4SMN1; SMN2
SCHEMBL5896067 0.92 ALDH1A1 (0.52) RAB9AMRGPRX4SMN1; SMN2TP53PKM
SCHEMBL5896045 0.92 ALDH1A1 (0.52) RAB9AMRGPRX4SMN1; SMN2TP53PKM
SCHEMBL5896057 0.92 ALDH1A1 (0.52) RAB9AMRGPRX4SMN1; SMN2TP53PKM
SCHEMBL5895933 0.91 MRGPRX4 (0.49) SPHK2SPHK1RAB9AMRGPRX4SMN1; SMN2
SCHEMBL5923568 0.91 MRGPRX4 (0.49) SPHK2SPHK1RAB9AMRGPRX4SMN1; 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 5 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
EP-1532128-A1 INHIBITORS OF HCV NS5B POLYMERASE Pharmacia & Upjohn Company LLC (US) 2005-05-25 EP disclosed
US-20040142980-A1 Inhibitors of HCV NS5B polymerase PHARMACIA & UPJOHN COMPANY 2004-07-22 US disclosed
WO-2004002977-A1 INHIBITORS OF HCV NS5B POLYMERASE PHARMACIA & UPJOHN COMPANY LLC (US) 2004-01-08 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-20040142980-A1 Inhibitors of HCV NS5B polymerase POLRMT, POLR1E, CTDSP1 SPHK2 3371/4885SPHK1 2794/4885RAB9A 1219/4885
US-20060004063-A1 Inhibitors of HCV NS5B polymerase POLRMT, EIF5B, POLI SPHK2 3169/4885SPHK1 2916/4885RAB9A 1149/4885

“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.