SCHEMBL16616220

SCHEMBL16616220

CCCc1nc(O)c(C(=O)OCC)cc1C(=O)OCC

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.57
KDM4E B2RXH2 3/20 0.47
CA12 O43570 3/20 0.44
CA1 P00915 3/20 0.44
CA2 P00918 3/20 0.44
CA7 P43166 3/20 0.44
CA9 Q16790 3/20 0.44
CA14 Q9ULX7 3/20 0.44
TSHR P16473 2/20 0.43
ALDH1A1 P00352 3/20 0.43
LMNA P02545 2/20 0.43
MAPT P10636 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ALOX15 P16050 1/20 0.40
NPC1 O15118 1/20 0.40
POLB P06746 1/20 0.40
GAA P10253 1/20 0.40
NR1H2 P55055 1/20 0.40
NR1H3 Q13133 1/20 0.40
CYP1A2 P05177 1/20 0.40

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
SCHEMBL16616378 0.86 HSP90AA1 (0.41) HSP90AA1KDM4ECA12CA1CA2
SCHEMBL27904206 0.85 KDM4E (0.56) KDM4ECA12CA1CA2CA7
SCHEMBL16616085 0.80 HSP90AA1 (0.52) HSP90AA1KDM4ECA12CA1CA2
SCHEMBL8751783 0.79 TSHR (0.49) KDM4ECA12CA1CA2CA7
SCHEMBL16853719 0.77 CA12 (0.43) HSP90AA1KDM4ECA12CA1CA2
SCHEMBL8395135 0.77 HSP90AA1 (0.72) HSP90AA1KDM4ETSHRALDH1A1LMNA
SCHEMBL16616440 0.77 GABRP (0.44) HSP90AA1KDM4ECA12CA9
SCHEMBL14822451 0.75 KDM4E (0.57) HSP90AA1KDM4ECA12CA1CA2
SCHEMBL4164158 0.75 HSP90AA1 (0.45) HSP90AA1KDM4ECA12CA1CA2
SCHEMBL31412872 0.75 CA12 (0.41) HSP90AA1KDM4ECA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3055309-B1 ANTAGONISTS OF SOMATOSTATIN RECEPTOR SUBTYPE 5 (SSTR5) TAKEDA PHARMACEUTICALS CO (JP) 2018-06-13 EP disclosed
US-9751878-B2 Tetrahydronaphthyridine somatostatin receptor 5 antagonists TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-09-05 US disclosed
US-20160237087-A1 HETEROCYCLIC COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-08-18 US disclosed
EP-3055309-A1 ANTAGONISTS OF SOMATOSTATIN RECEPTOR SUBTYPE 5 (SSTR5) Takeda Pharmaceutical Company Limited (JP) 2016-08-17 EP disclosed
US-9353108-B2 Tetrahydronaphthyridine somatostatin receptor 5 antagonists TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-05-31 US disclosed
WO-2015052910-A1 ANTAGONISTS OF SOMATOSTATIN RECEPTOR SUBTYPE 5 (SSTR5) TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-04-16 WO disclosed
US-20150099777-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-04-09 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 (2 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-20150099777-A1 HETEROCYCLIC COMPOUND SSTR5, SSTR4, SSTR2 HSP90AA1 1930/4885KDM4E 3637/4885CA12 1298/4885
US-20160237087-A1 HETEROCYCLIC COMPOUNDS SSTR5, SSTR4, SSTR2 HSP90AA1 1765/4885KDM4E 3670/4885CA12 1308/4885

“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.