SCHEMBL16670302

SCHEMBL16670302

CCOc1c(C=O)cc(Br)c(-c2ccc(F)cc2F)c1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.40
PTGS1 P23219 1/20 0.35
PTGS2 P35354 1/20 0.35
AR P10275 1/20 0.35
MAPT P10636 4/20 0.34
POLB P06746 3/20 0.34
RAB9A P51151 2/20 0.34
MEN1 O00255 4/20 0.33
KMT2A Q03164 4/20 0.33
ATM Q13315 1/20 0.33
ALDH1A1 P00352 3/20 0.32
HPGD P15428 1/20 0.32
NPC1 O15118 1/20 0.31
GAA P10253 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C19 P33261 1/20 0.31
P2RX7 Q99572 2/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31

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
SCHEMBL16616057 0.86 ERN1 (0.37) LMNAARMAPTPOLBMEN1
SCHEMBL16056203 0.84 LMNA (0.42) LMNAARMAPTPOLBMEN1
SCHEMBL16670446 0.83 AR (0.33) ARMAPTMEN1KMT2AHPGD
SCHEMBL16616618 0.81 AR (0.33) PTGS1PTGS2ARMEN1KMT2A
SCHEMBL16616316 0.78 LMNA (0.48) LMNAPTGS1PTGS2MAPTPOLB
SCHEMBL16616218 0.77 ERN1 (0.46) LMNAARMEN1KMT2AALDH1A1
SCHEMBL16616334 0.73 SSTR5 (0.35) PTGS1PTGS2AR
SCHEMBL16616319 0.71 PTGS1 (0.47) LMNAPTGS1PTGS2ARMAPT
SCHEMBL2599698 0.71 ERN1 (0.42) PTGS2MAPTPOLBMEN1KMT2A
SCHEMBL16616017 0.69 PIM1 (0.42) LMNAMAPTMEN1KMT2AALDH1A1

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-3063139-B1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2018-11-21 EP 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
EP-3063139-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2016-09-07 EP disclosed
US-20160060273-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-03-03 US disclosed
US-9120777-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-09-01 US disclosed
WO-2015064083-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-05-07 WO disclosed
US-20150119412-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-04-30 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-20160060273-A1 HETEROCYCLIC COMPOUND SSTR5, SSTR1, SSTR2 LMNA 4589/4885PTGS1 1854/4885PTGS2 2188/4885
US-20150119412-A1 HETEROCYCLIC COMPOUND SSTR5, SSTR4, SSTR2 LMNA 3954/4885PTGS1 1075/4885PTGS2 1520/4885

“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.