SCHEMBL4259291

SCHEMBL4259291

NC1CCCC(P(=O)(O)O)C1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
S1PR4 O95977 3/20 0.40
S1PR1 P21453 3/20 0.40
S1PR3 Q99500 3/20 0.40
S1PR5 Q9H228 2/20 0.40
ALDH1A1 P00352 1/20 0.35
GRM4 Q14833 2/20 0.33
MMP8 P22894 3/20 0.32
MMP1 P03956 1/20 0.32
MMP2 P08253 2/20 0.30

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
SCHEMBL4255645 0.86 S1PR4 (0.37) S1PR4S1PR1S1PR3S1PR5GRM4
SCHEMBL20843659 0.86 S1PR4 (0.37) S1PR4S1PR1S1PR3S1PR5GRM4
SCHEMBL18207894 0.77
SCHEMBL2700252 0.73 S1PR4 (0.40) S1PR4S1PR1S1PR3S1PR5MMP8
SCHEMBL3481359 0.72
SCHEMBL19212002 0.72 S1PR4 (0.42) S1PR4S1PR1S1PR3S1PR5GRM4
SCHEMBL23459226 0.70 GRM4 (0.38) S1PR4S1PR1S1PR3ALDH1A1GRM4
SCHEMBL7042044 0.70 S1PR4 (0.53) S1PR4S1PR1S1PR3S1PR5MMP8
SCHEMBL14743862 0.70 S1PR4 (0.38) S1PR4S1PR1S1PR3S1PR5GRM4
SCHEMBL585039 0.69 MMP2 (0.41) S1PR4S1PR1S1PR3S1PR5ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090209474-A1 NOVEL USES FOR DRUGS TARGETING GLUTAMINE SYNTHETASE NEWTHERA (FR) 2009-08-20 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 (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-20090209474-A1 NOVEL USES FOR DRUGS TARGETING GLUTAMINE SYNTHETASE GLUL, GLS2, ASNS S1PR4 3169/4885S1PR1 2697/4885S1PR3 2693/4885

“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.