SCHEMBL7028386

SCHEMBL7028386

C[C@@H](C(=O)OP(=O)(O)Cl)N(OCC1CC1)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 18/20 0.39
PTGDR Q13258 7/20 0.39
PTGER1 P34995 1/20 0.38
PTGER4 P35408 1/20 0.38
PTGER3 P43115 1/20 0.38
PTGER2 P43116 1/20 0.38
CNR2 P34972 1/20 0.34
BCHE P06276 1/20 0.34
ACHE P22303 1/20 0.34

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
SCHEMBL7023153 0.95 PTGIR (0.36) PTGIRPTGDRPTGER1PTGER4PTGER3
SCHEMBL7795340 0.85 SMN1; SMN2 (0.38)
SCHEMBL20856173 0.85 SMN1; SMN2 (0.38)
SCHEMBL7025600 0.83 CHRM2 (0.38)
SCHEMBL472178 0.83 ALDH1A1 (0.38)
SCHEMBL779563 0.83 SMN1; SMN2 (0.37)
SCHEMBL20162506 0.83 ALDH1A1 (0.38)
SCHEMBL22321965 0.81 KDM4E (0.36)
SCHEMBL382026 0.81 KDM4E (0.36)
SCHEMBL781866 0.80 POLB (0.37)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1117669-B1 ANTIVIRAL PURINE DERIVATIVES UNIV CARDIFF (GB) 2003-01-29 EP disclosed
US-20010031745-A1 Antiviral purine derivatives UNIVERSITY COLLEGE CARDIFF CONSULTANTS LIMITED (GB) 2001-10-18 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-20010031745-A1 Antiviral purine derivatives PNP, TYMP, MTAP PTGIR 3314/4885PTGDR 3672/4885PTGER1 2037/4885

“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.