SCHEMBL2888596

SCHEMBL2888596

COc1cc(CO)c(NC(C)=O)cc1OC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 2/20 0.49
PDE4B Q07343 2/20 0.49
PDE4C Q08493 2/20 0.49
PDE4D Q08499 2/20 0.49
PDE5A O76074 1/20 0.49
PDE1A P54750 1/20 0.49
PDE1B Q01064 1/20 0.49
PDE3B Q13370 1/20 0.49
PDE1C Q14123 1/20 0.49
PDE3A Q14432 1/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
CYP3A4 P08684 1/20 0.47
GAA P10253 1/20 0.47
ATM Q13315 1/20 0.46
CASP3 P42574 1/20 0.43
SENP8 Q96LD8 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP6 Q9GZR1 1/20 0.43
ALDH1A1 P00352 3/20 0.43

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
SCHEMBL16371186 0.81 MEN1 (0.44) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL7956482 0.80 MEN1 (0.65) MEN1KMT2AGAAATMALDH1A1
SCHEMBL18227177 0.76 MEN1 (0.41) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL1849504 0.75 KMT2A (0.55) MEN1KMT2AGAAATMALDH1A1
SCHEMBL20647549 0.75 HTT (0.56) MEN1KMT2ACYP3A4GAAALDH1A1
SCHEMBL21676273 0.75 KDM4E (0.53) MEN1KMT2AGAAATMALDH1A1
SCHEMBL30492983 0.75 KMT2A (0.55) MEN1KMT2AGAAATMALDH1A1
SCHEMBL19014916 0.74 PDE4A (0.77) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL11384615 0.74 KDM4E (0.50) MEN1KMT2AGAAALDH1A1KDM4E
SCHEMBL8541790 0.74 KDM4E (0.65) MEN1KMT2AALDH1A1TSHRKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8558028-B2 Compound capable of inhibiting 17-beta hydroxysteriod dehydrogenase UNIVERSITY OF BATH OF CLAVERTON DOWN (GB) 2013-10-15 US disclosed
US-8558028-B2 Compound capable of inhibiting 17-beta hydroxysteriod dehydrogenase UNIVERSITY OF BATH OF CLAVERTON DOWN (GB) 2013-10-15 US disclosed
US-8558028-B2 Compound capable of inhibiting 17-beta hydroxysteriod dehydrogenase UNIVERSITY OF BATH OF CLAVERTON DOWN (GB) 2013-10-15 US disclosed
CN-101918352-A Inhibitors of 17 beta-hydroxysteroid dehydrogenase STERIX LTD 2010-12-15 CN disclosed
US-20100286204-A1 COMPOUND CAPABLE OF INHIBITING 17-BETA HYDROXYSTERIOD DEHYDROGENASE STERIX LIMITED (GB) 2010-11-11 US disclosed
US-20100286204-A1 COMPOUND CAPABLE OF INHIBITING 17-BETA HYDROXYSTERIOD DEHYDROGENASE STERIX LIMITED (GB) 2010-11-11 US disclosed
US-20100286204-A1 COMPOUND CAPABLE OF INHIBITING 17-BETA HYDROXYSTERIOD DEHYDROGENASE STERIX LIMITED (GB) 2010-11-11 US disclosed
EP-2220026-A2 INHIBITORS OF 17BETA-HYDROXYSTEROID DEHYDROGENASE Sterix Limited (GB) 2010-08-25 EP disclosed
WO-2009066072-A2 COMPOUND STERIX LIMITED (GB) 2009-05-28 WO disclosed
WO-2009066072-A2 COMPOUND STERIX LIMITED (GB) 2009-05-28 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-20100286204-A1 COMPOUND CAPABLE OF INHIBITING 17-BETA HYDROXYSTERIOD DEHYDROGENASE HSD17B13, HSD17B3, HSD3B2 PDE4A 4154/4885PDE4B 4196/4885PDE4C 4620/4885

“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.