SCHEMBL21906531

SCHEMBL21906531

CS(=O)(=O)OCc1cnc(Oc2ccc(F)cc2F)cn1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RXRB P28702 4/20 0.46
HSPB1 P04792 1/20 0.45
TRPA1 O75762 2/20 0.39
MAPK14 Q16539 9/20 0.39
MAPK11 Q15759 2/20 0.38
MAPK8 P45983 2/20 0.37
BRD4 O60885 1/20 0.37
PTGS1 P23219 1/20 0.37
PTGS2 P35354 1/20 0.37
MAPK9 P45984 1/20 0.37
MAPK10 P53779 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
SCHEMBL21906513 0.89 RXRB (0.46) RXRBHSPB1PTGS1PTGS2
SCHEMBL21906363 0.89 RXRB (0.46) RXRBHSPB1MAPK14PTGS1PTGS2
SCHEMBL21907354 0.88 RXRB (0.47) RXRBPTGS1PTGS2
SCHEMBL21907350 0.88 MEN1 (0.45) RXRBMAPK8
SCHEMBL21906497 0.82 L3MBTL1 (0.46) RXRBHSPB1
SCHEMBL21906532 0.80 RXRB (0.45) RXRBHSPB1TRPA1
SCHEMBL21906519 0.79 RXRB (0.45) RXRB
SCHEMBL21906704 0.79 RXRB (0.43) RXRB
SCHEMBL21906355 0.78 HSPB1 (0.49) RXRBHSPB1TRPA1MAPK14
SCHEMBL21906697 0.78 HTT (0.45) RXRBPTGS1PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3867244-B1 4-PYRAZIN-2-YLMETHYL-MORPHOLINE DERIVATIVES AND THE USE THEREOF AS MEDICAMENT BOEHRINGER INGELHEIM INT (DE) 2023-01-18 EP disclosed
US-20210393644-A1 4-Pyrazin-2-ylmethyl-morpholine derivatives and the use thereof as medicament BOEHRINGER INGELHEIM INT (DE) 2021-12-23 US disclosed
US-11166958-B2 4-pyrazin-2-ylmethyl-morpholine derivatives and the use thereof as medicament BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2021-11-09 US disclosed
US-20200121691-A1 4-Pyrazin-2-ylmethyl-morpholine derivatives and the use thereof as medicament BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2020-04-23 US disclosed
WO-2020079039-A1 4-PYRAZIN-2-YLMETHYL-MORPHOLINE DERIVATIVES AND THE USE THEREOF AS MEDICAMENT BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2020-04-23 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-20200121691-A1 4-Pyrazin-2-ylmethyl-morpholine derivatives and the use thereof as medicament GRIN2A, GRIN2C, GRIN3A RXRB 595/4885HSPB1 3171/4885TRPA1 306/4885
US-20210393644-A1 4-Pyrazin-2-ylmethyl-morpholine derivatives and the use thereof as medicament GRIN2A, GRIN2C, GRIN3A RXRB 595/4885HSPB1 3171/4885TRPA1 306/4885
US-11166958-B2 4-pyrazin-2-ylmethyl-morpholine derivatives and the use thereof as medicament GRIN2A, GRIN2C, GRIN3A RXRB 595/4885HSPB1 3171/4885TRPA1 306/4885

“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.