SCHEMBL300017

SCHEMBL300017

COC(=O)c1cc(OC2CC2)c(Br)c(OC2CC2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.44
EPHX2 P34913 1/20 0.44
HSD17B10 Q99714 1/20 0.44
PDE4A P27815 6/20 0.43
PDE4B Q07343 6/20 0.43
PDE4C Q08493 6/20 0.43
PDE4D Q08499 6/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43
KDM4E B2RXH2 2/20 0.42
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.42
GAA P10253 1/20 0.42
NFKB1 P19838 1/20 0.42
XDH P47989 1/20 0.42
GFER P55789 1/20 0.42

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
SCHEMBL25902171 0.90 PDE4D (0.41) KMT2AEPHX2HSD17B10PDE4APDE4B
SCHEMBL29633602 0.85 HSD17B10 (0.45) KMT2AEPHX2HSD17B10PDE4APDE4B
SCHEMBL23534443 0.83 NOTUM (0.47) KMT2AEPHX2HSD17B10PDE4APDE4B
SCHEMBL18031253 0.80 MAPT (0.53) KMT2APDE4APDE4BPDE4CPDE4D
SCHEMBL23905352 0.80 EPHX2 (0.36) KMT2AEPHX2HSD17B10PDE4APDE4B
SCHEMBL16533471 0.80 NOTUM (0.50) KMT2AEPHX2HSD17B10PDE4APDE4B
SCHEMBL31309588 0.79 KMT2A (0.42) KMT2AEPHX2HSD17B10PDE4APDE4B
SCHEMBL18031257 0.78 LMNA (0.45) EPHX2HSD17B10PDE4APDE4BPDE4C
SCHEMBL23904754 0.78 EPHX2 (0.41) EPHX2HSD17B10PDE4APDE4BPDE4C
SCHEMBL731344 0.78 MAPT (0.53) KMT2ACA12CA1CA2CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2427465-A1 SUBSTITUTED SPIROCYCLIC AMINES USEFUL AS ANTIDIABETIC COMPOUNDS Merck Sharp & Dohme Corp. (US) 2012-03-14 EP disclosed
US-20120041012-A1 SUBSTITUTED SPIROCYCLIC AMINES USEFUL AS ANTIDIABETIC COMPOUNDS MERCK SHARP & DOHME CORP. 2012-02-16 US disclosed
US-20120041012-A1 SUBSTITUTED SPIROCYCLIC AMINES USEFUL AS ANTIDIABETIC COMPOUNDS MERCK SHARP & DOHME CORP. 2012-02-16 US disclosed
US-20120041012-A1 SUBSTITUTED SPIROCYCLIC AMINES USEFUL AS ANTIDIABETIC COMPOUNDS MERCK SHARP & DOHME CORP. 2012-02-16 US disclosed
WO-2010129729-A1 SUBSTITUTED SPIROCYCLIC AMINES USEFUL AS ANTIDIABETIC COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2010-11-11 WO disclosed
WO-2010129729-A1 SUBSTITUTED SPIROCYCLIC AMINES USEFUL AS ANTIDIABETIC COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2010-11-11 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-20120041012-A1 SUBSTITUTED SPIROCYCLIC AMINES USEFUL AS ANTIDIABETIC COMPOUNDS SSTR5, SSTR2, GPR119 KMT2A 2457/4885EPHX2 2605/4885HSD17B10 1193/4885

“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.