SCHEMBL1629559

SCHEMBL1629559

COC(=O)C(C)NCCC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA14 Q9ULX7 3/20 0.41
CA12 O43570 2/20 0.38
TSHR P16473 5/20 0.36
SMN1; SMN2 Q16637 2/20 0.34
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
BIRC2 Q13490 1/20 0.33
MAPT P10636 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
LMNA P02545 1/20 0.32
CYP3A4 P08684 1/20 0.32
NFKB1 P19838 1/20 0.32
ADRA1A P35348 1/20 0.32
RAB9A P51151 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
SIGMAR1 Q99720 1/20 0.31

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
SCHEMBL1630526 0.81 CA12 (0.44) CA14CA12TSHRSMN1; SMN2MEN1
SCHEMBL12762216 0.80 CA1 (0.33) SMN1; SMN2CA1CA2SIGMAR1
SCHEMBL14926779 0.79 TSHR (0.35) TSHRMEN1KMT2ASIGMAR1
SCHEMBL14926797 0.79 TSHR (0.35) TSHRMEN1KMT2ASIGMAR1
SCHEMBL1631428 0.78 SMN1; SMN2 (0.33) SMN1; SMN2CA1CA2SIGMAR1
SCHEMBL1631429 0.78 SMN1; SMN2 (0.33) SMN1; SMN2CA1CA2SIGMAR1
SCHEMBL10280185 0.78 TSHR (0.33) CA14CA12TSHRCA1CA2
Hydrochloric Acid SCHEMBL30491104 0.78 TSHR (0.34) TSHRMEN1KMT2ASIGMAR1
SCHEMBL1629424 0.77 MLYCD (0.32) SMN1; SMN2CA1CA2
SCHEMBL23327618 0.77 CA14 (0.45) CA14TSHRSMN1; SMN2CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2183260-B1 PHOSPHADIAZINE HCV POLYMERASE INHIBITORS IV IDENIX PHARMACEUTICALS INC (US) 2011-06-01 EP disclosed
EP-2183260-B1 PHOSPHADIAZINE HCV POLYMERASE INHIBITORS IV IDENIX PHARMACEUTICALS INC (US) 2011-06-01 EP disclosed
US-7932240-B2 Phosphadiazine HCV polymerase inhibitors IV IDENIX PHARMACEUTICALS, INC. (US) 2011-04-26 US disclosed
US-7932240-B2 Phosphadiazine HCV polymerase inhibitors IV IDENIX PHARMACEUTICALS, INC. (US) 2011-04-26 US disclosed
US-7932240-B2 Phosphadiazine HCV polymerase inhibitors IV IDENIX PHARMACEUTICALS, INC. (US) 2011-04-26 US disclosed
EP-2183260-A1 PHOSPHADIAZINE HCV POLYMERASE INHIBITORS IV IDENIX Pharmaceuticals, Inc. (US) 2010-05-12 EP disclosed
US-20090081158-A1 PHOSPHADIAZINE HCV POLYMERASE INHIBITORS IV IDENIX PHARMACEUTICALS, INC. (US) 2009-03-26 US disclosed
US-20090081158-A1 PHOSPHADIAZINE HCV POLYMERASE INHIBITORS IV IDENIX PHARMACEUTICALS, INC. (US) 2009-03-26 US disclosed
US-20090081158-A1 PHOSPHADIAZINE HCV POLYMERASE INHIBITORS IV IDENIX PHARMACEUTICALS, INC. (US) 2009-03-26 US disclosed
WO-2009032180-A1 PHOSPHADIAZINE HCV POLYMERASE INHIBITORS IV IDENIX PHARMACEUTICALS, INC. (US) 2009-03-12 WO disclosed
WO-2009032180-A1 PHOSPHADIAZINE HCV POLYMERASE INHIBITORS IV IDENIX PHARMACEUTICALS, INC. (US) 2009-03-12 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-20090081158-A1 PHOSPHADIAZINE HCV POLYMERASE INHIBITORS IV POLI, ITPA, POLR2H CA14 3121/4885CA12 3806/4885TSHR 3605/4885

“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.