SCHEMBL16333395

SCHEMBL16333395

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ NR1H2 P55055 1/20 0.38
▸ NR1H3 Q13133 1/20 0.38
▸ MAP4K4 O95819 2/20 0.37
▸ CKS1B P61024 2/20 0.36
▸ SKP1 P63208 2/20 0.36
▸ SKP2 Q13309 2/20 0.36
▸ HDAC1 Q13547 1/20 0.35
▸ UCHL3 P15374 1/20 0.34
▸ PRKAB2 O43741 1/20 0.34
▸ PRKAG1 P54619 1/20 0.34
▸ PRKAA2 P54646 1/20 0.34
▸ PRKAA1 Q13131 1/20 0.34
▸ PRKAG3 Q9UGI9 1/20 0.34
▸ PRKAG2 Q9UGJ0 1/20 0.34
▸ PRKAB1 Q9Y478 1/20 0.34
▸ PDE10A Q9Y233 1/20 0.34
▸ F2RL1 P55085 2/20 0.34
▸ CYP11B2 P19099 1/20 0.34

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
SCHEMBL18096349 0.91 MAP4K4 (0.36) NR1H2NR1H3MAP4K4CKS1BSKP1
SCHEMBL16333318 0.82 MAP4K4 (0.53) POLBTDP1MAP4K4CKS1BSKP1
SCHEMBL19995494 0.80 ATR (0.36) POLBNR1H2NR1H3MAP4K4CKS1B
SCHEMBL18096155 0.80 MAP4K4 (0.42) NR1H2NR1H3MAP4K4CKS1BSKP1
SCHEMBL19995483 0.78 RET (0.38) NR1H2NR1H3MAP4K4HDAC1KDM4E
SCHEMBL16333441 0.77 MAP4K4 (0.57) POLBTDP1NR1H2NR1H3MAP4K4
SCHEMBL30686573 0.77 MAP4K4 (0.37) NR1H2NR1H3MAP4K4CKS1BSKP1
SCHEMBL20000451 0.76 CRBN (0.49) NR1H2NR1H3MAP4K4CKS1BSKP1
SCHEMBL25186887 0.75 MAP4K4 (0.40) NR1H2NR1H3MAP4K4CKS1BSKP1
SCHEMBL17375424 0.75 MAP4K4 (0.44) POLBTDP1NR1H2NR1H3MAP4K4

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 POLB 2157/4885TDP1 1663/4885NR1H2 604/4885
US-20160145270-A1 COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY SMN1; SMN2, CPT1B, PYGM POLB 2157/4885TDP1 1663/4885NR1H2 604/4885

“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.

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