SCHEMBL14725968

SCHEMBL14725968

CCOC(=O)c1cc(C(=O)OCC)n(CC(=O)c2cccc(OC)c2)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 5/20 0.50
CDYL2 Q8N8U2 1/20 0.48
CDYL Q9Y232 1/20 0.48
CDY1; CDY1B Q9Y6F8 1/20 0.48
POLB P06746 2/20 0.47
CA12 O43570 1/20 0.46
CA9 Q16790 1/20 0.46
MAPT P10636 4/20 0.46
NPC1 O15118 4/20 0.46
RAB9A P51151 4/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
KDM4E B2RXH2 1/20 0.46
HPGD P15428 1/20 0.46
NPSR1 Q6W5P4 2/20 0.45
ALDH1A1 P00352 2/20 0.45
BLM P54132 1/20 0.45
LMNA P02545 1/20 0.44
TSHR P16473 1/20 0.44
PPARG P37231 1/20 0.44
NCOA2 Q15596 1/20 0.44

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
SCHEMBL30719113 0.85 ELANE (0.48) ELANEPOLBMAPTNPC1RAB9A
SCHEMBL21630625 0.85 ELANE (0.48) ELANEPOLBMAPTNPC1RAB9A
SCHEMBL28554740 0.83 KMT2A (0.48) POLBMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL29977154 0.81 SMN1; SMN2 (0.46) POLBMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL28560572 0.81 SMN1; SMN2 (0.46) POLBMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL28546956 0.81 SMN1; SMN2 (0.40) POLBMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL4304188 0.80 NPSR1 (0.53) POLBMAPTKDM4ENPSR1ALDH1A1
SCHEMBL23112463 0.80 NOTUM (0.49) POLBMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL29977559 0.80 NOTUM (0.49) POLBMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL28556855 0.79 SMN1; SMN2 (0.43) ELANEPOLBMAPTNPC1RAB9A

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-9073927-B2 Inhibitors of PI3 kinase FUNDACION CENTRO NACIONAL DE INVESTIGACIONES ONCOLOGICAS CARLOS III (ES) 2015-07-07 US disclosed
US-9073927-B2 Inhibitors of PI3 kinase FUNDACION CENTRO NACIONAL DE INVESTIGACIONES ONCOLOGICAS CARLOS III (ES) 2015-07-07 US disclosed
US-20130053371-A1 INHIBITORS OF PI3 KINASE CENTRO NACIONAL DE INVESTIGACIONES ONCOLÓGICAS (CNIO) (ES) 2013-02-28 US disclosed
US-20130053371-A1 INHIBITORS OF PI3 KINASE CENTRO NACIONAL DE INVESTIGACIONES ONCOLÓGICAS (CNIO) (ES) 2013-02-28 US 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-20130053371-A1 INHIBITORS OF PI3 KINASE PIK3CA, MTOR, PIK3C2A ELANE 3394/4885CDYL2 4380/4885CDYL 4370/4885

“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.