SCHEMBL16624260

SCHEMBL16624260

CCOc1cc(-c2ccc(F)c(F)c2)ccc1C(=O)OC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.56
MKNK1 Q9BUB5 1/20 0.44
MKNK2 Q9HBH9 1/20 0.44
CHRNA7 P36544 3/20 0.44
FFAR4 Q5NUL3 1/20 0.43
ALDH1A1 P00352 2/20 0.41
RARA P10276 1/20 0.41
RARB P10826 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 2/20 0.41
KDM4E B2RXH2 2/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
RET P07949 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
MAPK1 P28482 1/20 0.41

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
SCHEMBL16616127 0.87 TDP1 (0.57) TDP1MKNK1MKNK2CHRNA7FFAR4
SCHEMBL3139236 0.85 CHEK1 (0.51) KMT2AKDM4ESLC6A4SLC6A3
SCHEMBL16056207 0.84 TDP1 (0.53) TDP1MKNK1MKNK2ALDH1A1KDM4E
SCHEMBL16055165 0.84 TDP1 (0.53) TDP1MKNK1MKNK2FFAR4ALDH1A1
SCHEMBL16624277 0.82 TDP1 (0.43) TDP1CHRNA7FFAR4ALDH1A1HTT
SCHEMBL10280155 0.82 RARA (0.54) TDP1CHRNA7FFAR4ALDH1A1RARA
SCHEMBL17535871 0.82 TDP1 (0.51) TDP1CHRNA7FFAR4ALDH1A1KMT2A
SCHEMBL25794823 0.81 TDP1 (0.62) TDP1FFAR4ALDH1A1HTTKMT2A
SCHEMBL16624241 0.81 MKNK1 (0.44) MKNK1MKNK2SLC6A4SLC6A3
SCHEMBL14252247 0.81 SLC6A3 (0.45) ALDH1A1KDM4ESLC6A4SLC6A3SMN1; SMN2

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
US-9751878-B2 Tetrahydronaphthyridine somatostatin receptor 5 antagonists TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-09-05 US 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
US-20160237087-A1 HETEROCYCLIC COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-08-18 US disclosed
US-9353108-B2 Tetrahydronaphthyridine somatostatin receptor 5 antagonists TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-05-31 US disclosed
US-9353108-B2 Tetrahydronaphthyridine somatostatin receptor 5 antagonists TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-05-31 US disclosed
US-20150099777-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-04-09 US 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 TDP1 4624/4885MKNK1 1161/4885MKNK2 1150/4885
US-20160237087-A1 HETEROCYCLIC COMPOUNDS SSTR5, SSTR4, SSTR2 TDP1 4538/4885MKNK1 1194/4885MKNK2 1192/4885

“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.