SCHEMBL3347516

SCHEMBL3347516

CC(C)C(N)[C@H](O)C(=O)OC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 2/20 0.37
NOS3 P29474 1/20 0.37
NOS2 P35228 1/20 0.37
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35
CYP2D6 P10635 2/20 0.35
CA12 O43570 1/20 0.33
CA14 Q9ULX7 1/20 0.33
KMT2A Q03164 2/20 0.32
LMNA P02545 1/20 0.32
DGAT1 O75907 1/20 0.31
SLC7A5 Q01650 1/20 0.31
MEN1 O00255 1/20 0.31
GAA P10253 1/20 0.31
METAP2 P50579 1/20 0.30
METAP1 P53582 1/20 0.30
CYP3A4 P08684 2/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2C9 P11712 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
SCHEMBL9094607 1.00 NOS1 (0.37) NOS1NOS3NOS2CA1CA2
SCHEMBL310390 0.82 NOS1 (0.39) NOS1NOS3NOS2CA1CA2
SCHEMBL310392 0.82 NOS1 (0.39) NOS1NOS3NOS2CA1CA2
SCHEMBL11855010 0.81 CA1 (0.39) NOS1NOS3NOS2CA1CA2
SCHEMBL4671957 0.81 CA1 (0.39) NOS1NOS3NOS2CA1CA2
SCHEMBL4671964 0.81 CA1 (0.39) NOS1NOS3NOS2CA1CA2
SCHEMBL1845280 0.78 HTT (0.40) NOS1NOS3NOS2CA1CA2
SCHEMBL8028869 0.78 HTT (0.40) NOS1NOS3NOS2CA1CA2
SCHEMBL19407016 0.78 HTT (0.40) NOS1NOS3NOS2CA1CA2
SCHEMBL8030378 0.78 HTT (0.40) NOS1NOS3NOS2CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2141146-A1 Calcilytic compounds SmithKline Beecham Corporation (US) 2010-01-06 EP disclosed
US-7109238-B2 Calcilytic compounds SMITH KLINE BEECHAM CORPORATION (US) 2006-09-19 US disclosed
EP-1254106-A4 CALCILYTIC COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2005-09-14 EP disclosed
US-20040192741-A1 Calcilytic compounds SMITHKLINE BEECHAM CORPORATION & NPS PHARMACEUTICALS 2004-09-30 US disclosed
US-20030018203-A1 Calcilytic compounds NPS PHARMACEUTICALS, INC. 2003-01-23 US disclosed
EP-1254106-A1 CALCILYTIC COMPOUNDS SmithKline Beecham Corporation (US) 2002-11-06 EP disclosed
WO-2001053254-A1 CALCILYTIC COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2001-07-26 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-20030018203-A1 Calcilytic compounds SOST, CALCB, CALCR NOS1 4266/4885NOS3 4319/4885NOS2 4420/4885
US-20040192741-A1 Calcilytic compounds SOST, CALCB, CALCR NOS1 4266/4885NOS3 4319/4885NOS2 4420/4885

“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.