SCHEMBL16616066

SCHEMBL16616066

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.55
NFE2L2 Q16236 1/20 0.55
ALDH1A1 P00352 5/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
SMN1; SMN2 Q16637 4/20 0.48
HPGD P15428 3/20 0.48
KDM4E B2RXH2 1/20 0.48
GABRP O00591 1/20 0.46
GABRD O14764 1/20 0.46
GABRA1 P14867 1/20 0.46
GABRB1 P18505 1/20 0.46
GABRG2 P18507 1/20 0.46
GABRB3 P28472 1/20 0.46
GABRA5 P31644 1/20 0.46
GABRA3 P34903 1/20 0.46
GABRA2 P47869 1/20 0.46
GABRB2 P47870 1/20 0.46
GABRA4 P48169 1/20 0.46
GABRE P78334 1/20 0.46

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
SCHEMBL31344260 0.86 KEAP1 (0.53) KEAP1NFE2L2ALDH1A1MEN1KMT2A
SCHEMBL9703855 0.86 KEAP1 (0.53) KEAP1NFE2L2ALDH1A1MEN1KMT2A
SCHEMBL473918 0.86 ALDH1A1 (0.47) KEAP1NFE2L2ALDH1A1MEN1KMT2A
SCHEMBL10564551 0.86 KEAP1 (0.53) KEAP1NFE2L2ALDH1A1MEN1KMT2A
SCHEMBL70795 0.84 SMN1; SMN2 (0.65) ALDH1A1MEN1KMT2ASMN1; SMN2HPGD
SCHEMBL29102118 0.84 ALDH1A1 (0.46) KEAP1NFE2L2ALDH1A1MEN1KMT2A
SCHEMBL23856563 0.82 KEAP1 (0.70) KEAP1NFE2L2ALDH1A1MEN1KMT2A
SCHEMBL3936409 0.82 KEAP1 (0.50) KEAP1NFE2L2ALDH1A1MEN1KMT2A
SCHEMBL3450933 0.82 KEAP1 (0.50) KEAP1NFE2L2ALDH1A1MEN1KMT2A
SCHEMBL4675611 0.82 ALDH1A1 (0.45) KEAP1NFE2L2ALDH1A1MEN1KMT2A

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 KEAP1 2006/4885NFE2L2 2246/4885ALDH1A1 3197/4885
US-20160237087-A1 HETEROCYCLIC COMPOUNDS SSTR5, SSTR4, SSTR2 KEAP1 1967/4885NFE2L2 2114/4885ALDH1A1 3012/4885

“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.