SCHEMBL1629951

SCHEMBL1629951

CNOC(=O)CC(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MIF P14174 1/20 0.33
LMNA P02545 2/20 0.33
TSHR P16473 1/20 0.32
ALDH1A1 P00352 1/20 0.31
NPC1 O15118 1/20 0.30
TP53 P04637 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL27749642 0.81 LMNA (0.34) MIFLMNANPC1TP53RAB9A
SCHEMBL28603343 0.80 TSHR (0.32) TSHR
SCHEMBL7438402 0.78 LMNA (0.35) MIFLMNATSHRALDH1A1NPC1
SCHEMBL28204989 0.76 TSHR (0.35) TSHR
SCHEMBL28792640 0.76 MIF (0.32) MIFLMNA
SCHEMBL167149 0.76
SCHEMBL28871067 0.75 MGAM (0.43) TSHRALDH1A1TP53
Ammonia Solution, Strong SCHEMBL3909004 0.74 TSHR (0.48) MIFLMNATSHRALDH1A1NPC1
Hydrochloric Acid SCHEMBL27633679 0.74 TSHR (0.48) MIFLMNATSHRALDH1A1NPC1
SCHEMBL5426046 0.73 MIF (0.37) MIFLMNATSHRALDH1A1NPC1

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
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
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
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 MIF 3157/4885LMNA 3396/4885TSHR 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.