SCHEMBL16333318

SCHEMBL16333318

COc1nc(N2CCN(C(=O)OC(C)(C)C)CC2)ccc1C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 1/20 0.53
CKS1B P61024 2/20 0.52
SKP1 P63208 2/20 0.52
SKP2 Q13309 2/20 0.52
SUV39H2 Q9H5I1 2/20 0.46
POLB P06746 2/20 0.45
TDP1 Q9NUW8 1/20 0.45
PTPN11 Q06124 1/20 0.44
PRMT5 O14744 1/20 0.44
ALDH1A1 P00352 3/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
GPR119 Q8TDV5 5/20 0.43
ACHE P22303 1/20 0.43
PDE10A Q9Y233 1/20 0.43
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
HPGD P15428 1/20 0.42
TSHR P16473 1/20 0.42
CRHBP P24387 1/20 0.42

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
SCHEMBL17375383 0.89 MAP4K4 (0.54) MAP4K4CKS1BSKP1SKP2SUV39H2
SCHEMBL16333807 0.89 MAP4K4 (0.52) MAP4K4CKS1BSKP1SKP2SUV39H2
SCHEMBL31752780 0.89 MAP4K4 (0.54) MAP4K4CKS1BSKP1SKP2SUV39H2
SCHEMBL16378116 0.88 POLB (0.49) SUV39H2POLBTDP1PRMT5ALDH1A1
SCHEMBL16333346 0.87 CKS1B (0.54) MAP4K4CKS1BSKP1SKP2POLB
SCHEMBL27148195 0.85 MAP4K4 (0.55) MAP4K4CKS1BSKP1SKP2SUV39H2
SCHEMBL16333734 0.85 MAP4K4 (0.50) MAP4K4CKS1BSKP1SKP2POLB
SCHEMBL2068165 0.84 MAP4K4 (0.59) MAP4K4CKS1BSKP1SKP2SUV39H2
SCHEMBL15599449 0.84 MAP4K4 (0.54) MAP4K4CKS1BSKP1SKP2SUV39H2
SCHEMBL4573541 0.84 MAP4K4 (0.54) MAP4K4CKS1BSKP1SKP2SUV39H2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180222925-A1 COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY Hoffmann-La Roche Inc. and PTC Therapeutics Inc. 2018-08-09 US disclosed
US-20180222925-A1 COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY Hoffmann-La Roche Inc. and PTC Therapeutics Inc. 2018-08-09 US disclosed
US-20180222925-A1 COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY Hoffmann-La Roche Inc. and PTC Therapeutics Inc. 2018-08-09 US disclosed
EP-3013345-B1 COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY HOFFMANN LA ROCHE (CH) 2017-11-22 EP disclosed
EP-3013345-B1 COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY HOFFMANN LA ROCHE (CH) 2017-11-22 EP disclosed
US-20160145270-A1 COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY F. HOFFMANN-LA ROCHE AG (CH) 2016-05-26 US disclosed
US-20160145270-A1 COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY F. HOFFMANN-LA ROCHE AG (CH) 2016-05-26 US disclosed
US-20160145270-A1 COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY F. HOFFMANN-LA ROCHE AG (CH) 2016-05-26 US disclosed
EP-3013345-A2 COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY F. Hoffmann-La Roche AG (CH) 2016-05-04 EP disclosed
WO-2014209841-A2 COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY F. HOFFMANN-LA ROCHE AG (CH) 2014-12-31 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-20180222925-A1 COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY SMN1; SMN2, CPT1B, PYGM MAP4K4 4448/4885CKS1B 1234/4885SKP1 2979/4885
US-20160145270-A1 COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY SMN1; SMN2, CPT1B, PYGM MAP4K4 4448/4885CKS1B 1234/4885SKP1 2979/4885

“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.