SCHEMBL334689

SCHEMBL334689

CCOC(=O)[C@@H]1CCC[C@@H]1NCc1ccc(F)cc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SSTR3 P32745 8/20 0.53
SCN9A Q15858 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.45
GAA P10253 2/20 0.44
KDM4E B2RXH2 1/20 0.44
CTSB P07858 1/20 0.43
TAS1R3 Q7RTX0 2/20 0.43
TAS1R1 Q7RTX1 2/20 0.43
DPP4 P27487 1/20 0.43
DPP7 Q9UHL4 1/20 0.43
JAK1 P23458 1/20 0.42
KCNQ3 O43525 1/20 0.42
KCNQ2 O43526 1/20 0.42
ALDH1A1 P00352 1/20 0.41
TP53 P04637 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 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
SCHEMBL335298 1.00 SSTR3 (0.53) SSTR3SCN9ASMN1; SMN2GAAKDM4E
SCHEMBL334688 1.00 SSTR3 (0.53) SSTR3SCN9ASMN1; SMN2GAAKDM4E
SCHEMBL334690 1.00 SSTR3 (0.53) SSTR3SCN9ASMN1; SMN2GAAKDM4E
SCHEMBL335299 1.00 SSTR3 (0.53) SSTR3SCN9ASMN1; SMN2GAAKDM4E
SCHEMBL4488175 0.97 SSTR3 (0.56) SSTR3SCN9ASMN1; SMN2GAAKDM4E
SCHEMBL4481349 0.88 SSTR3 (0.56) SSTR3SCN9ASMN1; SMN2GAAKDM4E
SCHEMBL4735124 0.88 SSTR3 (0.56) SSTR3SCN9ASMN1; SMN2GAAKDM4E
SCHEMBL4735123 0.88 SSTR3 (0.56) SSTR3SCN9ASMN1; SMN2GAAKDM4E
SCHEMBL14038227 0.88 SSTR3 (0.56) SSTR3SCN9ASMN1; SMN2GAAKDM4E
SCHEMBL4486701 0.88 SSTR3 (0.56) SSTR3SCN9ASMN1; SMN2GAAKDM4E

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8222404-B2 [1,2,4]Thiadiazin-3-yl acetic acid compound and methods of making the acetic acid compound ANADYS PHARMACEUTICALS, INC. (US) 2012-07-17 US disclosed
US-20120116077-A1 [1,2,4]THIADIAZIN-3-YL ACETIC ACID COMPOUND[[S]] AND METHODS OF MAKING THE ACETIC ACID COMPOUND ANADYS PHARMACEUTICALS, INC. (US) 2012-05-10 US disclosed
US-8097613-B2 [1,2,4]thiadiazine 1,1-dioxide compounds ANADYS PHARMACEUTICALS, INC. (US) 2012-01-17 US disclosed
WO-2009152166-A1 [1,2,4]THIADIAZINE 1,1-DIOXIDE COMPOUNDS ANADYS PHARMACEUTICALS, INC. (US) 2009-12-17 WO disclosed
US-20090306057-A1 [1,2,4]THIADIAZINE 1,1-DIOXIDE COMPOUNDS ANADYS PHARMACEUTICALS, INC. (US) 2009-12-10 US disclosed
US-7582626-B2 5,6-dihydro-1H-pyridin-2-one compounds ANADYS PHARMACEUTICALS, INC. (US) 2009-09-01 US disclosed
US-7582626-B2 5,6-dihydro-1H-pyridin-2-one compounds ANADYS PHARMACEUTICALS, INC. (US) 2009-09-01 US disclosed
US-7582626-B2 5,6-dihydro-1H-pyridin-2-one compounds ANADYS PHARMACEUTICALS, INC. (US) 2009-09-01 US disclosed
US-20090111798-A1 5,6-DIHYDRO-1H-PYRIDIN-2-ONE COMPOUNDS ANADYS PHARMACEUTICALS, INC. 2009-04-30 US disclosed
US-20090111798-A1 5,6-DIHYDRO-1H-PYRIDIN-2-ONE COMPOUNDS ANADYS PHARMACEUTICALS, INC. 2009-04-30 US disclosed
US-20090111798-A1 5,6-DIHYDRO-1H-PYRIDIN-2-ONE COMPOUNDS ANADYS PHARMACEUTICALS, INC. 2009-04-30 US disclosed
WO-2008073982-A2 5,6-DIHYDRO-1H-PYRIDIN-2-ONE COMPOUNDS ANADYS PHARMACEUTICALS, INC. (US) 2008-06-19 WO 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-20120116077-A1 [1,2,4]THIADIAZIN-3-YL ACETIC ACID COMPOUND[[S]] AND METHODS OF MAKING THE ACETIC ACID COMPOUND ACMSD, ACACA, ALDH1A1 SSTR3 2581/4885SCN9A 4684/4885SMN1; SMN2 3587/4885
US-20090111798-A1 5,6-DIHYDRO-1H-PYRIDIN-2-ONE COMPOUNDS HAVCR2, PYGL, HCCS SSTR3 4729/4885SCN9A 4793/4885SMN1; SMN2 1958/4885
US-20090306057-A1 [1,2,4]THIADIAZINE 1,1-DIOXIDE COMPOUNDS CYP2E1, CYP1A1, CYP1B1 SSTR3 3683/4885SCN9A 4817/4885SMN1; SMN2 3269/4885

“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.