SCHEMBL16616758

SCHEMBL16616758

Cc1nc(OCc2ccccc2)c(C(=O)O)cc1C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 3/20 0.55
BAK1 Q16611 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.51
PDCD1 Q15116 1/20 0.51
CD274 Q9NZQ7 1/20 0.51
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
HSP90AA1 P07900 1/20 0.48
ALKBH1 Q13686 1/20 0.47
PTGER1 P34995 1/20 0.46
FOLH1 Q04609 1/20 0.46
DHODH Q02127 2/20 0.46
PPARG P37231 1/20 0.45
STAT3 P40763 1/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MAOB P27338 1/20 0.43
NR4A2 P43354 1/20 0.43
SLC16A3 O15427 1/20 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
SCHEMBL16616436 0.85 CNR1 (0.54) MCL1BAK1L3MBTL1PDCD1CD274
SCHEMBL16616128 0.83 MCL1 (0.50) MCL1BAK1L3MBTL1MEN1KMT2A
SCHEMBL15132081 0.82 MAOB (0.48) MCL1BAK1L3MBTL1PDCD1CD274
SCHEMBL16616669 0.81 MCL1 (0.48) MCL1BAK1L3MBTL1MEN1KMT2A
SCHEMBL12076414 0.79 CTSV (0.51) MCL1BAK1L3MBTL1MEN1KMT2A
SCHEMBL16616016 0.78 MCL1 (0.46) MCL1BAK1L3MBTL1MEN1KMT2A
SCHEMBL27827736 0.78 NOX1 (0.56) MCL1BAK1L3MBTL1MEN1KMT2A
SCHEMBL15132067 0.77 MAOB (0.48) MCL1BAK1L3MBTL1MEN1KMT2A
SCHEMBL4767499 0.77 CYP1A2 (0.54) L3MBTL1MEN1KMT2AHSP90AA1ALKBH1
SCHEMBL29199004 0.76 MCL1 (0.55) MCL1BAK1L3MBTL1MEN1KMT2A

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 MCL1 4200/4885BAK1 1379/4885L3MBTL1 4878/4885
US-20160237087-A1 HETEROCYCLIC COMPOUNDS SSTR5, SSTR4, SSTR2 MCL1 4034/4885BAK1 1465/4885L3MBTL1 4879/4885

“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.