SCHEMBL4518245

SCHEMBL4518245

CCCCCOc1ccc(NC(=O)N(S)C(=O)c2cc3ccccc3o2)cc1C(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 4/20 0.50
SMN1; SMN2 Q16637 2/20 0.44
MAPT P10636 3/20 0.43
TP53 P04637 1/20 0.43
RAB9A P51151 8/20 0.42
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
NPC1 O15118 7/20 0.41
THRA P10827 1/20 0.41
THRB P10828 1/20 0.41
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
ATM Q13315 1/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
HDAC3 O15379 1/20 0.39
S1PR4 O95977 1/20 0.39

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
SCHEMBL4357817 0.82 MAPT (0.58) S1PR1SMN1; SMN2MAPTTP53RAB9A
SCHEMBL3259065 0.78 S1PR1 (0.49) S1PR1SMN1; SMN2MAPTRAB9AMEN1
SCHEMBL3258918 0.78 S1PR1 (0.50) S1PR1SMN1; SMN2TP53RAB9ANPC1
SCHEMBL3257536 0.78 S1PR1 (0.49) S1PR1MAPTMEN1KMT2ATHRA
SCHEMBL3258245 0.77 S1PR1 (0.49) S1PR1SMN1; SMN2MAPTTP53RAB9A
SCHEMBL3260301 0.75 S1PR1 (0.49) S1PR1MAPTMEN1KMT2ATHRA
SCHEMBL3257407 0.75 S1PR1 (0.50) S1PR1MAPTMEN1KMT2ATHRA
SCHEMBL4518242 0.73 NPC1 (0.43) S1PR1SMN1; SMN2MAPTTP53RAB9A
SCHEMBL2872160 0.72 S1PR1 (0.47) S1PR1SMN1; SMN2MAPTRAB9AMEN1
SCHEMBL3258562 0.72 S1PR1 (0.44) S1PR1SMN1; SMN2TP53RAB9AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090081636-A1 Pharmaceutical compositions for and methods of inhibiting HCV replication HUANG MINGJUN 2009-03-26 US disclosed
US-20080207760-A1 Pharmaceutical Compositions For and Methods of Inhibiting Hcv ACHILLION PHARMACEUTICALS, INC. (US) 2008-08-28 US disclosed
EP-1874952-A2 PHARMACEUTICAL COMPOSITIONS FOR AND METHODS OF INHIBITING HCV REPLICATION Achillion Pharmaceuticals, Inc. (US) 2008-01-09 EP disclosed
WO-2006110762-A2 PHARMACEUTICAL COMPOSITIONS FOR AND METHODS OF INHIBITING HCV REPLICATION ACHILLION (US) 2006-10-19 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 (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-20080207760-A1 Pharmaceutical Compositions For and Methods of Inhibiting Hcv RNASE1, SARS1, EIF2AK2 S1PR1 4723/4885SMN1; SMN2 4344/4885MAPT 4038/4885

“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.