SCHEMBL18706396

SCHEMBL18706396

CNC(=O)c1ccc(B(O)OC(C)(C)C(C)(C)O)cc1C

nearest known ligand 0.32

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 2/20 0.32
NEU3 Q9UQ49 1/20 0.32
PLK1 P53350 1/20 0.31
MMP13 P45452 1/20 0.31
ESRRB O95718 1/20 0.30
ESRRG P62508 1/20 0.30
HPGD P15428 1/20 0.30
TSHR P16473 1/20 0.30
HTT P42858 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
ALDH1A1 P00352 1/20 0.30
CYP17A1 P05093 1/20 0.30
CYP3A4 P08684 1/20 0.30
TRPV1 Q8NER1 2/20 0.30
EPHX2 P34913 1/20 0.30
F10 P00742 1/20 0.30

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
SCHEMBL6607443 0.81 PLAU (0.49) PLK1MMP13HPGDTSHRHTT
SCHEMBL6610483 0.78 HPGD (0.41) NR1H4PLK1MMP13HPGDTSHR
SCHEMBL12475742 0.77 HDAC8 (0.45) PLK1HPGDTSHRHTTSMN1; SMN2
SCHEMBL457266 0.77 NEU3 (0.39) NEU3PLK1MMP13HPGDTSHR
SCHEMBL12476441 0.76 HDAC8 (0.36) NR1H4PLK1MMP13HPGDTSHR
SCHEMBL18580300 0.75 ALDH1A1 (0.33) TSHRALDH1A1
SCHEMBL17627595 0.75 CA1 (0.49) HPGDTSHRHTTSMN1; SMN2ALDH1A1
SCHEMBL15638734 0.74 GAA (0.41) PLK1
SCHEMBL473910 0.74 KDM4E (0.37) HPGDHTTSMN1; SMN2ALDH1A1
SCHEMBL16278053 0.74 CFTR (0.36) HPGDTSHRSMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190071416-A1 COMPOUNDS FOR TREATMENT OF CANCER AND EPIGENETICS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2019-03-07 US disclosed
EP-3371151-A1 COMPOUNDS FOR TREATMENT OF CANCER AND EPIGENETICS Agency For Science, Technology And Research (SG) 2018-09-12 EP disclosed
WO-2017061957-A1 COMPOUNDS FOR TREATMENT OF CANCER AND EPIGENETICS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2017-04-13 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-20190071416-A1 COMPOUNDS FOR TREATMENT OF CANCER AND EPIGENETICS SMYD3, SMYD2, EHMT1 NR1H4 992/4885NEU3 1774/4885PLK1 3480/4885

“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.