SCHEMBL21059516

SCHEMBL21059516

CO[C@H]1C[C@@H](c2cc(Br)ccc2O[C@@H](C)C(=O)O)C1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 3/20 0.50
PTGDR Q13258 2/20 0.50
KMT2A Q03164 4/20 0.40
TSHR P16473 3/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
HTR2B P41595 1/20 0.40
LMNA P02545 1/20 0.36
ATM Q13315 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
RECQL P46063 1/20 0.35
TDP1 Q9NUW8 2/20 0.35
MEN1 O00255 2/20 0.34
HSD11B1 P28845 1/20 0.34
ALOX15 P16050 1/20 0.34
CASP1 P29466 1/20 0.34
CASP7 P55210 1/20 0.34
HSD17B10 Q99714 1/20 0.34
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL21059515 1.00 PTGDR2 (0.50) PTGDR2PTGDRKMT2ATSHRHTR2A
SCHEMBL21059483 0.85 PTGDR2 (0.62) PTGDR2PTGDRKMT2ATSHRHTR2A
SCHEMBL21059486 0.85 PTGDR2 (0.62) PTGDR2PTGDRKMT2ATSHRHTR2A
SCHEMBL21059447 0.83 PTGDR2 (0.67) PTGDR2PTGDRKMT2ATSHRHTR2A
SCHEMBL21059445 0.83 PTGDR2 (0.67) PTGDR2PTGDRKMT2ATSHRHTR2A
SCHEMBL28444725 0.82 PTGDR2 (0.65) PTGDR2PTGDRKMT2ATSHRHTR2A
SCHEMBL28444727 0.82 PTGDR2 (0.65) PTGDR2PTGDRKMT2ATSHRHTR2A
SCHEMBL21057192 0.78 PTGDR2 (0.51) PTGDR2PTGDRKMT2ATSHRHTR2A
SCHEMBL21057194 0.78 PTGDR2 (0.51) PTGDR2PTGDRKMT2ATSHRHTR2A
SCHEMBL21059519 0.77 PTGDR2 (0.44) PTGDR2PTGDRKMT2ATSHRHTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3723746-B1 PHENOXY ACIDS FOR THE TREATMENT OF NEUROMUSCULAR DISORDERS NMD PHARMA AS (DK) 2022-02-23 EP claimed
US-20190185409-A1 Compounds For The Treatment Of Neuromuscular Disorders NMD PHARMA APS (DK) 2019-06-20 US claimed
US-20190183812-A1 Compounds For The Treatment Of Neuromuscular Disorders NMD PHARMA A/S (DK) 2019-06-20 US claimed
US-11591284-B2 Compounds for the treatment of neuromuscular disorders NMD PHARMA A/S (DK) 2023-02-28 US disclosed
EP-3723746-B1 PHENOXY ACIDS FOR THE TREATMENT OF NEUROMUSCULAR DISORDERS NMD PHARMA AS (DK) 2022-02-23 EP disclosed
US-20190183812-A1 Compounds For The Treatment Of Neuromuscular Disorders NMD PHARMA A/S (DK) 2019-06-20 US disclosed
US-20190185409-A1 Compounds For The Treatment Of Neuromuscular Disorders NMD PHARMA APS (DK) 2019-06-20 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 (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-20190185409-A1 Compounds For The Treatment Of Neuromuscular Disorders CPT1B, CLCN2, CACNB1 PTGDR2 1344/4885PTGDR 1130/4885KMT2A 2981/4885
US-20190183812-A1 Compounds For The Treatment Of Neuromuscular Disorders RYR1, CACNB1, RYR2 PTGDR2 2581/4885PTGDR 2725/4885KMT2A 3390/4885
US-11591284-B2 Compounds for the treatment of neuromuscular disorders RYR1, CACNB1, CACNA1S PTGDR2 1624/4885PTGDR 1550/4885KMT2A 3747/4885

“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.