SCHEMBL18199537

SCHEMBL18199537

CC(C)C[C@H](CN)CC(=O)OCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC15A1 P46059 2/20 0.52
CACNA2D1 P54289 2/20 0.50
CACNB3 P54284 1/20 0.50
CACNA1C Q13936 1/20 0.50
PGR P06401 1/20 0.50
ADRA1A P35348 1/20 0.50
HTR2B P41595 1/20 0.50
CACNA2D2 Q9NY47 1/20 0.50
ALDH1A1 P00352 2/20 0.49
MAPK1 P28482 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
CTSK P43235 5/20 0.46
MMP9 P14780 1/20 0.44
CTSS P25774 2/20 0.43
CTSB P07858 2/20 0.43
CTSL P07711 1/20 0.43

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
Hydrochloric Acid SCHEMBL29110345 0.99 SLC15A1 (0.51) SLC15A1CACNA2D1CACNB3CACNA1CPGR
Hydrochloric Acid SCHEMBL1044439 0.99 SLC15A1 (0.51) SLC15A1CACNA2D1CACNB3CACNA1CPGR
SCHEMBL10013280 0.87 ALDH1A1 (0.50) SLC15A1ALDH1A1MAPK1L3MBTL1CTSK
SCHEMBL16726827 0.87 ALDH1A1 (0.50) SLC15A1ALDH1A1MAPK1L3MBTL1CTSK
SCHEMBL13915926 0.84 SLC15A1 (0.48) SLC15A1ALDH1A1MAPK1L3MBTL1CTSK
SCHEMBL16729374 0.83 SLC15A1 (0.47) SLC15A1ALDH1A1MAPK1L3MBTL1CTSK
SCHEMBL7365728 0.82 SLC15A1 (0.57) SLC15A1ALDH1A1MAPK1L3MBTL1MMP9
SCHEMBL111390 0.81 ALDH1A1 (0.61) SLC15A1ALDH1A1MAPK1L3MBTL1CTSK
SCHEMBL1974104 0.81 SLC15A1 (0.45) SLC15A1ALDH1A1MAPK1L3MBTL1CTSK
SCHEMBL27674121 0.80 ALDH1A1 (0.59) SLC15A1ALDH1A1MAPK1L3MBTL1CTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9925204-B2 Anti-inflammatory compounds in combination with hydrogen for the treatment of inflammation KAWAI TOSHIHISA (US) 2018-03-27 US disclosed
US-20160317575-A1 ANTI-INFLAMMATORY COMPOUNDS IN COMBINATION WITH HYDROGEN FOR THE TREATMENT OF INFLAMMATION KAWAI TOSHIHISA (US) 2016-11-03 US disclosed
US-20160317575-A1 ANTI-INFLAMMATORY COMPOUNDS IN COMBINATION WITH HYDROGEN FOR THE TREATMENT OF INFLAMMATION KAWAI TOSHIHISA (US) 2016-11-03 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 (1 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-20160317575-A1 ANTI-INFLAMMATORY COMPOUNDS IN COMBINATION WITH HYDROGEN FOR THE TREATMENT OF INFLAMMATION PTGS1, HVCN1, HRH2 SLC15A1 1697/4885CACNA2D1 1262/4885CACNB3 581/4885

“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.