SCHEMBL5401869

SCHEMBL5401869

CO[C@H]1CCC[C@@](C)(C(=O)O)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR3 O14843 1/20 0.41
SLC6A4 P31645 4/20 0.33
SLC6A3 Q01959 4/20 0.33
CYP1A2 P05177 1/20 0.33
MAPK8 P45983 1/20 0.31
TRPA1 O75762 1/20 0.31
HIF1A Q16665 2/20 0.31
MAPK1 P28482 2/20 0.31
EP300 Q09472 1/20 0.31
CREBBP Q92793 1/20 0.31
TP53 P04637 1/20 0.31
NFKB1 P19838 1/20 0.31
CYP2C19 P33261 1/20 0.31
THPO P40225 1/20 0.31
STAT6 P42226 1/20 0.31
NPC1 O15118 1/20 0.31
GMNN O75496 1/20 0.31
LMNA P02545 1/20 0.31
MTOR P42345 1/20 0.31
RAB9A P51151 1/20 0.31

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
SCHEMBL5401862 1.00 FFAR3 (0.41) FFAR3SLC6A4SLC6A3CYP1A2MAPK8
SCHEMBL5410650 1.00 FFAR3 (0.41) FFAR3SLC6A4SLC6A3CYP1A2MAPK8
SCHEMBL5410652 1.00 FFAR3 (0.41) FFAR3SLC6A4SLC6A3CYP1A2MAPK8
SCHEMBL4749316 1.00 FFAR3 (0.41) FFAR3SLC6A4SLC6A3CYP1A2MAPK8
SCHEMBL5423916 0.84 MAPK8 (0.35) SLC6A4SLC6A3MAPK8LMNASMN1; SMN2
SCHEMBL14041867 0.84 NPSR1 (0.35) SLC6A4SLC6A3MAPK8MAPK1TP53
SCHEMBL5418297 0.84 NPSR1 (0.35) SLC6A4SLC6A3MAPK8MAPK1TP53
SCHEMBL5423917 0.84 MAPK8 (0.35) SLC6A4SLC6A3MAPK8LMNASMN1; SMN2
SCHEMBL25554207 0.80 FFAR3 (0.46) FFAR3HIF1AMAPK1TP53NFKB1
SCHEMBL712214 0.80 FFAR3 (0.36) FFAR3

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-7199147-B2 Rho kinase inhibitors DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2007-04-03 US disclosed
US-20040138286-A1 Rho kinase inhibitors DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2004-07-15 US disclosed
EP-1403255-A1 Rho KINASE INHIBITORS SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2004-03-31 EP 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-20040138286-A1 Rho kinase inhibitors ROCK1, ROCK2, ARHGDIA FFAR3 744/4885SLC6A4 4344/4885SLC6A3 3792/4885

“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.