SCHEMBL16616319

SCHEMBL16616319

CCOc1cc(C=O)cc(OCC)c1-c1ccc(F)cc1F

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.47
PTGS2 P35354 1/20 0.47
ALDH1A1 P00352 7/20 0.47
HPGD P15428 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
POLB P06746 1/20 0.44
STK17B O94768 2/20 0.42
KDM4E B2RXH2 2/20 0.41
TACR2 P21452 1/20 0.39
L3MBTL1 Q9Y468 3/20 0.39
AR P10275 1/20 0.38
TUBB1 Q9H4B7 1/20 0.37
BRD4 O60885 1/20 0.37
MAPT P10636 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
LMNA P02545 1/20 0.37

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
SCHEMBL16616075 0.87 ALDH1A1 (0.39) PTGS1PTGS2ALDH1A1HPGDMEN1
SCHEMBL17535352 0.86 ALDH1A1 (0.45) PTGS1PTGS2ALDH1A1HPGDMEN1
SCHEMBL16056511 0.84 ALDH1A1 (0.48) PTGS1PTGS2ALDH1A1HPGDMEN1
SCHEMBL1121685 0.81 ALDH1A1 (0.50) ALDH1A1MEN1KMT2AKDM4ETACR2
SCHEMBL17535846 0.81 ALDH1A1 (0.58) ALDH1A1HPGDMEN1KMT2APOLB
SCHEMBL17535727 0.77 HTR2C (0.38) ALDH1A1HPGDMEN1KMT2APOLB
SCHEMBL16055779 0.77 ALDH1A1 (0.47) ALDH1A1HPGDMEN1KMT2APOLB
SCHEMBL16055771 0.76 ALDH1A1 (0.56) ALDH1A1MEN1KMT2ASTK17BKDM4E
SCHEMBL17535738 0.76 ALDH1A1 (0.46) ALDH1A1HPGDMEN1KMT2APOLB
SCHEMBL16056410 0.76 KDM4E (0.46) ALDH1A1HPGDMEN1KMT2APOLB

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 10 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
EP-2970331-B1 SPIRO AZETIDINE ISOXAZOLE DERIVATIVES AND THEIR USE AS SSTR5 ANTAGONISTS TAKEDA PHARMACEUTICALS CO (JP) 2017-05-17 EP disclosed
US-9605000-B2 Spiro azetidine isoxazole derivatives and their use as SSTR antagonists TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-03-28 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
US-20160060273-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-03-03 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 (3 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 PTGS1 998/4885PTGS2 1449/4885ALDH1A1 3197/4885
US-20160060273-A1 HETEROCYCLIC COMPOUND SSTR5, SSTR1, SSTR2 PTGS1 1854/4885PTGS2 2188/4885ALDH1A1 2449/4885
US-20160237087-A1 HETEROCYCLIC COMPOUNDS SSTR5, SSTR4, SSTR2 PTGS1 880/4885PTGS2 1304/4885ALDH1A1 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.