SCHEMBL13829487

SCHEMBL13829487

O=S(=O)(OC(c1cccnc1)C(F)(F)F)C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CFTR P13569 2/20 0.42
GOPC Q9HD26 2/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
SLC6A3 Q01959 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.40
PLA2G7 Q13093 1/20 0.39
MGLL Q99685 1/20 0.39
ABHD6 Q9BV23 1/20 0.39
KCNA5 P22460 3/20 0.39
KCNN4 O15554 2/20 0.39
KDM4E B2RXH2 1/20 0.36
CYP19A1 P11511 1/20 0.35
GAA P10253 1/20 0.35
PTGS1 P23219 1/20 0.35
PTGS2 P35354 1/20 0.35
NAPRT Q6XQN6 1/20 0.34

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
SCHEMBL17541025 1.00 CFTR (0.42) CFTRGOPCSLC6A2SLC6A4SLC6A3
SCHEMBL12800458 0.82 NPSR1 (0.39) GAA
SCHEMBL1273034 0.82 NPSR1 (0.39) GAA
SCHEMBL1273035 0.82 NPSR1 (0.39) GAA
Acetic Acid SCHEMBL27871968 0.82 LMNA (0.42) CFTRGOPCSLC6A2SLC6A4SLC6A3
Ammonia Solution, Strong SCHEMBL29119873 0.80 NPSR1 (0.38) GAA
SCHEMBL23674953 0.79 ALDH1A1 (0.46) KDM4EGAAPTGS2
SCHEMBL30100763 0.79 ALDH1A1 (0.46) KDM4EGAAPTGS2
SCHEMBL16249379 0.78 SLC22A12 (0.34) PTGS1PTGS2
SCHEMBL12199685 0.76 SLC6A2 (0.44) CFTRGOPCSLC6A2SLC6A4SLC6A3

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
WO-2023107547-A2 AZETIDINE AND SPIROAZETIDINE COMPOUNDS AND USES THEREOF Kineta, Inc. (US) 2023-06-15 WO disclosed
EP-3185865-B1 TETRAHYDRONAPTHTYRIDINE DERIVATIVES AS MGLUR2 NEGATIVE ALLOSTERIC MODULATORS, COMPOSITIONS, AND THEIR USE. MERCK SHARP & DOHME (US) 2020-07-15 EP disclosed
EP-3185865-B1 TETRAHYDRONAPTHTYRIDINE DERIVATIVES AS MGLUR2 NEGATIVE ALLOSTERIC MODULATORS, COMPOSITIONS, AND THEIR USE. MERCK SHARP & DOHME (US) 2020-07-15 EP disclosed
US-10072003-B2 Tetrahydronaphthyridine derivatives as mGluR2-negative allosteric modulators, compositions, and their use MERCK SHARP & DOHME CORP. 2018-09-11 US disclosed
US-20170305902-A1 TETRAHYDRONAPHTHYRIDINE DERIVATIVES AS mGluR2-NEGATIVE ALLOSTERIC MODULATORS, COMPOSITIONS, AND THEIR USE MERCK SHARP & DOHME CORP. (US) 2017-10-26 US disclosed
US-20170305902-A1 TETRAHYDRONAPHTHYRIDINE DERIVATIVES AS mGluR2-NEGATIVE ALLOSTERIC MODULATORS, COMPOSITIONS, AND THEIR USE MERCK SHARP & DOHME CORP. (US) 2017-10-26 US disclosed
US-20170305902-A1 TETRAHYDRONAPHTHYRIDINE DERIVATIVES AS mGluR2-NEGATIVE ALLOSTERIC MODULATORS, COMPOSITIONS, AND THEIR USE MERCK SHARP & DOHME CORP. (US) 2017-10-26 US disclosed
EP-3185865-A1 TETRAHYDRONAPHTHYRIDINE DERIVATIVES AS mGluR2-NEGATIVE ALLOSTERIC MODULATORS, COMPOSITIONS, AND THEIR USE Merck Sharp & Dohme Corp. (US) 2017-07-05 EP disclosed
WO-2016032921-A1 TETRAHYDRONAPHTHYRIDINE DERIVATIVES AS mGluR2-NEGATIVE ALLOSTERIC MODULATORS, COMPOSITIONS, AND THEIR USE MERCK SHARP & DOHME CORP. (US) 2016-03-03 WO disclosed
WO-2016029454-A1 TETRAHYDRONAPHTHYRIDINE DERIVATIVES AS mGluR2-NEGATIVE ALLOSTERIC MODULATORS, COMPOSITIONS, AND THEIR USE MERCK SHARP & DOHME CORP. (US) 2016-03-03 WO disclosed
WO-2016032921-A1 TETRAHYDRONAPHTHYRIDINE DERIVATIVES AS mGluR2-NEGATIVE ALLOSTERIC MODULATORS, COMPOSITIONS, AND THEIR USE MERCK SHARP & DOHME CORP. (US) 2016-03-03 WO disclosed
WO-2012154274-A1 TRIAZOLOPYRIDINE COMPOUNDS AS PIM KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2012-11-15 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 (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-10072003-B2 Tetrahydronaphthyridine derivatives as mGluR2-negative allosteric modulators, compositions, and their use GRIN2A, GRIN2C, GRIN2B CFTR 4020/4885GOPC 2895/4885SLC6A2 161/4885
US-20170305902-A1 TETRAHYDRONAPHTHYRIDINE DERIVATIVES AS mGluR2-NEGATIVE ALLOSTERIC MODULATORS, COMPOSITIONS, AND THEIR USE GRIN2A, GRIN2C, GRIN2B CFTR 4020/4885GOPC 2895/4885SLC6A2 161/4885

“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.