SCHEMBL16333441

SCHEMBL16333441

COc1nc(N2CCN(C(=O)OC(C)(C)C)C(C)C2)ccc1C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 1/20 0.57
HDAC1 Q13547 2/20 0.48
SUV39H2 Q9H5I1 2/20 0.44
GPR119 Q8TDV5 2/20 0.44
CTSB P07858 1/20 0.41
CTSS P25774 1/20 0.41
CTSK P43235 1/20 0.41
POLB P06746 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
NR1H2 P55055 2/20 0.39
NR1H3 Q13133 2/20 0.39
PRKAB2 O43741 5/20 0.38
PRKAG1 P54619 5/20 0.38
PRKAA2 P54646 5/20 0.38
PRKAA1 Q13131 5/20 0.38
PRKAG3 Q9UGI9 5/20 0.38
PRKAG2 Q9UGJ0 5/20 0.38
PRKAB1 Q9Y478 5/20 0.38
SETD7 Q8WTS6 1/20 0.38
CHRM4 P08173 1/20 0.38

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
SCHEMBL4574046 0.87 MAP4K4 (0.59) MAP4K4HDAC1SUV39H2GPR119CTSB
SCHEMBL8097015 0.87 MAP4K4 (0.59) MAP4K4HDAC1SUV39H2GPR119CTSB
SCHEMBL17375424 0.87 MAP4K4 (0.44) MAP4K4HDAC1POLBTDP1NR1H2
SCHEMBL4573301 0.86 MAP4K4 (0.58) MAP4K4HDAC1SUV39H2GPR119CTSB
SCHEMBL8117492 0.86 MAP4K4 (0.58) MAP4K4HDAC1SUV39H2GPR119CTSB
SCHEMBL4573828 0.84 MAP4K4 (0.56) MAP4K4HDAC1SUV39H2GPR119CTSB
SCHEMBL8109939 0.84 MAP4K4 (0.56) MAP4K4HDAC1SUV39H2GPR119CTSB
SCHEMBL16333318 0.82 MAP4K4 (0.53) MAP4K4SUV39H2GPR119POLBTDP1
SCHEMBL8116230 0.80 MAP4K4 (0.60) MAP4K4HDAC1SUV39H2GPR119NR1H2
SCHEMBL4573366 0.80 MAP4K4 (0.60) MAP4K4HDAC1SUV39H2GPR119NR1H2

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
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
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 4448/4885HDAC1 453/4885SUV39H2 2844/4885
US-20160145270-A1 COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY SMN1; SMN2, CPT1B, PYGM MAP4K4 4448/4885HDAC1 453/4885SUV39H2 2844/4885

“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.