SCHEMBL7795355

SCHEMBL7795355

CCCCCOC[C@H](N)C(=O)OP(=O)(O)O

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ LPAR5 Q9H1C0 4/20 0.51
▸ LPAR3 Q9UBY5 8/20 0.50
▸ LPAR1 Q92633 7/20 0.50
▸ P2RY10 O00398 2/20 0.45
▸ S1PR2 O95136 3/20 0.43
▸ S1PR1 P21453 3/20 0.43
▸ S1PR3 Q99500 3/20 0.43
▸ S1PR5 Q9H228 1/20 0.43
▸ LPAR2 Q9HBW0 5/20 0.43
▸ PLA2G2C Q5R387 1/20 0.43
▸ HTT P42858 1/20 0.42
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ PLA2G2D Q9UNK4 1/20 0.41
▸ LPAR6 P43657 3/20 0.41
▸ LPAR4 Q99677 3/20 0.41
▸ TLR2 O60603 1/20 0.41

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
SCHEMBL27579516 1.00 LPAR5 (0.51) LPAR5LPAR3LPAR1P2RY10S1PR2
SCHEMBL7797100 0.88 LPAR5 (0.46) LPAR5LPAR3LPAR1P2RY10LPAR2
SCHEMBL27554230 0.85 P2RY10 (0.45) LPAR5LPAR3LPAR1P2RY10LPAR2
SCHEMBL7795517 0.80 LAP3 (0.52) S1PR2S1PR1S1PR3S1PR5
SCHEMBL28954689 0.79 HTT (0.54) LPAR5LPAR3LPAR1P2RY10PLA2G2C
SCHEMBL7062648 0.76 LPAR3 (0.71) LPAR5LPAR3LPAR1P2RY10S1PR2
SCHEMBL25354441 0.76 P2RY10 (0.54) LPAR5P2RY10PLA2G2CHTTCYP1A2
SCHEMBL14174568 0.76 ALDH1A1 (0.47) PLA2G2CHTTCYP1A2CYP3A4CYP2C19
SCHEMBL25354445 0.76 P2RY10 (0.54) LPAR5P2RY10PLA2G2CHTTCYP1A2
SCHEMBL13937592 0.75 CES2 (0.53) LPAR5LPAR3LPAR1PLA2G2CHTT

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
CN-1328565-A Antiviral purine derivatives UNIV CARDIFF (GB) 2001-12-26 — — CN 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 LPAR5 1905/4885LPAR3 1997/4885LPAR1 1133/4885

“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.

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