SCHEMBL12485083

SCHEMBL12485083

CCC(C)C(N=C=O)C(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CTSS P25774 3/20 0.38
CTSK P43235 3/20 0.38
NOS1 P29475 2/20 0.35
NOS3 P29474 1/20 0.35
NOS2 P35228 1/20 0.35
PSENEN Q9NZ42 1/20 0.32

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
SCHEMBL24217635 0.84 CYP2D6 (0.37) CTSSCTSKNOS1NOS3NOS2
SCHEMBL3400359 0.82 CTSS (0.34) CTSSCTSKNOS1NOS3NOS2
SCHEMBL3400364 0.82 CTSS (0.34) CTSSCTSKNOS1NOS3NOS2
SCHEMBL3310723 0.82 CTSS (0.34) CTSSCTSKNOS1NOS3NOS2
SCHEMBL14405592 0.81 CA1 (0.35) NOS1NOS3NOS2
SCHEMBL4607095 0.81 CA1 (0.35) NOS1NOS3NOS2
SCHEMBL4607090 0.81 CA1 (0.35) NOS1NOS3NOS2
SCHEMBL23709869 0.81 ALDH1A1 (0.33)
SCHEMBL12484953 0.81 NOS1 (0.31) CTSSCTSKNOS1NOS3NOS2
SCHEMBL2121642 0.77 AAK1 (0.35) CTSSCTSKNOS1NOS3NOS2

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-20140051706-A1 ALPHA HELIX MIMETICS AND METHODS RELATING THERETO PRISM PHARMA CO., LTD. (JP) 2014-02-20 US disclosed
CN-103517904-A Alpha-helix mimetics and methods relating thereto PRISM BIOLAB CORP 2014-01-15 CN disclosed
EP-2678341-A1 ALPHA HELIX MIMETICS AND METHODS RELATING THERETO PRISM Pharma Co., Ltd. (JP) 2014-01-01 EP disclosed
WO-2012115286-A1 ALPHA HELIX MIMETICS AND METHODS RELATING THERETO PRISM BIOLAB CORPORATION (JP) 2012-08-30 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-20140051706-A1 ALPHA HELIX MIMETICS AND METHODS RELATING THERETO COL1A1, PLOD3, THPO CTSS 1357/4885CTSK 1924/4885NOS1 744/4885

“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.