SCHEMBL17027482

SCHEMBL17027482

CCOC(=O)C(O)C(C)c1cccnc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.48
LMNA P02545 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
GAA P10253 3/20 0.46
MAPK1 P28482 1/20 0.46
CYP17A1 P05093 1/20 0.43
CYP19A1 P11511 1/20 0.43
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
GABRA1 P14867 2/20 0.41
GABRB2 P47870 2/20 0.41
CYP11B1 P15538 2/20 0.41
CYP11B2 P19099 2/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
TSHR P16473 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ABCB11 O95342 1/20 0.41
GABRA2 P47869 1/20 0.41
MAPT P10636 3/20 0.41

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
SCHEMBL18183273 0.84 SMN1; SMN2 (0.49) SMN1; SMN2LMNAL3MBTL1GAAMAPK1
SCHEMBL1605240 0.83 CYP19A1 (0.56) SMN1; SMN2LMNAL3MBTL1GAAMAPK1
SCHEMBL10827291 0.83 SMN1; SMN2 (0.51) SMN1; SMN2LMNAL3MBTL1GAAMAPK1
SCHEMBL11427983 0.83 GAA (0.45) SMN1; SMN2LMNAL3MBTL1GAAMAPK1
SCHEMBL10745237 0.82 GAA (0.44) SMN1; SMN2LMNAL3MBTL1GAAMAPK1
SCHEMBL8332616 0.81 GAA (0.50) SMN1; SMN2LMNAL3MBTL1GAAMAPK1
SCHEMBL6049933 0.81 MMP8 (0.53) SMN1; SMN2LMNAGAACYP1A2CYP3A4
SCHEMBL19419857 0.81 MMP8 (0.53) SMN1; SMN2LMNAGAACYP1A2CYP3A4
SCHEMBL234521 0.79 GAA (0.48) SMN1; SMN2LMNAL3MBTL1GAAMAPK1
SCHEMBL5967338 0.79 TSHR (0.49) SMN1; SMN2LMNAL3MBTL1GAAMAPK1

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
EP-3107916-B1 SPIRO-OXAZOLONES HOFFMANN LA ROCHE (CH) 2019-03-20 EP disclosed
EP-3107916-B1 SPIRO-OXAZOLONES HOFFMANN LA ROCHE (CH) 2019-03-20 EP disclosed
US-9828385-B2 Spiro-oxazolones HOFFMANN-LA ROCHE INC. (US) 2017-11-28 US disclosed
US-9828385-B2 Spiro-oxazolones HOFFMANN-LA ROCHE INC. (US) 2017-11-28 US disclosed
US-9828385-B2 Spiro-oxazolones HOFFMANN-LA ROCHE INC. (US) 2017-11-28 US disclosed
EP-3107916-A1 SPIRO-OXAZOLONES F. Hoffmann-La Roche AG (CH) 2016-12-28 EP disclosed
US-20160355522-A1 SPIRO-OXAZOLONES HOFFMANN-LA ROCHE INC. (US) 2016-12-08 US disclosed
US-20160355522-A1 SPIRO-OXAZOLONES HOFFMANN-LA ROCHE INC. (US) 2016-12-08 US disclosed
US-20160355522-A1 SPIRO-OXAZOLONES HOFFMANN-LA ROCHE INC. (US) 2016-12-08 US disclosed
WO-2015124541-A1 SPIRO-OXAZOLONES F. HOFFMANN-LA ROCHE AG (CH) 2015-08-27 WO disclosed
WO-2015124541-A1 SPIRO-OXAZOLONES F. HOFFMANN-LA ROCHE AG (CH) 2015-08-27 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-20160355522-A1 SPIRO-OXAZOLONES AVPR1A, AVPR1B, AVPR2 SMN1; SMN2 3497/4885LMNA 3114/4885L3MBTL1 3163/4885

“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.