SCHEMBL16616440

SCHEMBL16616440

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 4/20 0.44
GABRD O14764 4/20 0.44
GABRA1 P14867 4/20 0.44
GABRB1 P18505 4/20 0.44
GABRG2 P18507 4/20 0.44
GABRB3 P28472 4/20 0.44
GABRA5 P31644 4/20 0.44
GABRA3 P34903 4/20 0.44
GABRA2 P47869 4/20 0.44
GABRB2 P47870 4/20 0.44
GABRA4 P48169 4/20 0.44
GABRE P78334 4/20 0.44
GABRA6 Q16445 4/20 0.44
GABRG1 Q8N1C3 4/20 0.44
GABRG3 Q99928 4/20 0.44
GABRQ Q9UN88 4/20 0.44
KDM4E B2RXH2 1/20 0.43
HCAR2 Q8TDS4 3/20 0.41
MCL1 Q07820 1/20 0.41
HSP90AA1 P07900 1/20 0.38

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
SCHEMBL16616278 0.85 GABRP (0.51) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL16616317 0.81 KEAP1 (0.47) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL16616378 0.78 HSP90AA1 (0.41) KDM4EHSP90AA1CA12CA9
SCHEMBL4164161 0.78 HSP90AA1 (0.41) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL16616220 0.77 HSP90AA1 (0.57) KDM4EHSP90AA1CA12CA9
SCHEMBL28166140 0.73 HSD17B10 (0.40) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL29746408 0.72 GABRP (0.58) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL16616398 0.71 SMN1; SMN2 (0.50) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL16616669 0.70 MCL1 (0.48) KDM4EMCL1
SCHEMBL26780564 0.70 SMN1; SMN2 (0.41) GABRPGABRDGABRA1GABRB1GABRG2

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 8 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
CN-105612158-B The somatostatin receptor hypotype 5 (SSTR5) antagonist 武田药品工业株式会社 2017-06-30 CN 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 GABRP 607/4885GABRD 350/4885GABRA1 313/4885
US-20160237087-A1 HETEROCYCLIC COMPOUNDS SSTR5, SSTR4, SSTR2 GABRP 626/4885GABRD 368/4885GABRA1 312/4885

“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.