SCHEMBL12229697

SCHEMBL12229697

CCOP(=O)(OCC)c1cccc(CF)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
ACHE P22303 1/20 0.42
POLB P06746 1/20 0.40
CCNT1 O60563 2/20 0.38
CDK9 P50750 2/20 0.38
CA2 P00918 2/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA4 P22748 1/20 0.38
CA5A P35218 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CA5B Q9Y2D0 1/20 0.38
LTA4H P09960 1/20 0.37
EPHX2 P34913 1/20 0.37
HTR2A P28223 1/20 0.36
HTR2B P41595 1/20 0.36
AOX1 Q06278 1/20 0.36

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
SCHEMBL12229683 0.86 POLB (0.53) NPSR1MEN1KMT2AACHEPOLB
SCHEMBL4411677 0.86 NPSR1 (0.47) NPSR1MEN1KMT2AACHEPOLB
SCHEMBL14114270 0.84 ACHE (0.41) MEN1KMT2AACHEPOLBAOX1
SCHEMBL12229723 0.83 NPSR1 (0.45) NPSR1MEN1KMT2AACHEPOLB
SCHEMBL12230059 0.83 CA2 (0.36) NPSR1MEN1KMT2AACHEPOLB
SCHEMBL14809313 0.80 MEN1 (0.48) NPSR1MEN1KMT2AACHEPOLB
SCHEMBL12229745 0.80 MEN1 (0.48) NPSR1MEN1KMT2AACHECA2
SCHEMBL27660907 0.79 NPSR1 (0.47) NPSR1MEN1KMT2AACHEPOLB
SCHEMBL7189809 0.78 NPSR1 (0.41) NPSR1MEN1KMT2AACHEPOLB
SCHEMBL15871416 0.77 NPSR1 (0.48) NPSR1MEN1KMT2AACHEPOLB

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-8044091-B2 Phospho-indoles as HIV inhibitors IDENIX PHARMACEUTICALS, INC. (US) 2011-10-25 US disclosed
US-8044091-B2 Phospho-indoles as HIV inhibitors IDENIX PHARMACEUTICALS, INC. (US) 2011-10-25 US disclosed
EP-2256124-A1 Phospho-indoles as HIV inhibitors IDENIX Pharmaceuticals, Inc. (US) 2010-12-01 EP disclosed
US-20090163444-A1 PHOSPHO-INDOLES AS HIV INHIBITORS IDENIX PHARMACEUTICALS LLC 2009-06-25 US disclosed
US-20090163444-A1 PHOSPHO-INDOLES AS HIV INHIBITORS IDENIX PHARMACEUTICALS LLC 2009-06-25 US disclosed
US-7534809-B2 Phospho-indoles as HIV inhibitors IDENIX PHARMACEUTICALS, INC. (US) 2009-05-19 US disclosed
US-7534809-B2 Phospho-indoles as HIV inhibitors IDENIX PHARMACEUTICALS, INC. (US) 2009-05-19 US disclosed
EP-1799696-B1 PHOSPHOINDOLES AS HIV INHIBITORS IDENIX PHARMACEUTICALS INC (US) 2008-11-12 EP 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-20090163444-A1 PHOSPHO-INDOLES AS HIV INHIBITORS IDO1, PPP5C, INMT NPSR1 2490/4885MEN1 3483/4885KMT2A 1767/4885

“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.