SCHEMBL7797032

SCHEMBL7797032

CON[C@@H](CC(C)C)C(=O)OP(=O)(O)Cl

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 9/20 0.37
TAS1R1 Q7RTX1 9/20 0.37
LAP3 P28838 4/20 0.36
ANPEP P15144 3/20 0.36
ERAP1 Q9NZ08 1/20 0.36
ADAM17 P78536 2/20 0.33
MMP1 P03956 1/20 0.33
MMP3 P08254 1/20 0.33
MMP9 P14780 1/20 0.33
ALDH1A1 P00352 1/20 0.33
NOS3 P29474 1/20 0.33
NOS1 P29475 1/20 0.33
NOS2 P35228 1/20 0.33

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
SCHEMBL28457390 0.80 BIRC2 (0.37) TAS1R3TAS1R1
SCHEMBL28457393 0.80 BIRC2 (0.37) TAS1R3TAS1R1
SCHEMBL5050593 0.79 CA12 (0.33) MMP1MMP9
SCHEMBL28455795 0.79 CA12 (0.33) MMP1MMP9
SCHEMBL28450360 0.78 L3MBTL1 (0.39) TAS1R3TAS1R1ALDH1A1
SCHEMBL28449915 0.77 CTSK (0.46)
SCHEMBL10004949 0.76 CA12 (0.35) MMP1MMP9
SCHEMBL1810431 0.75 ANPEP (0.45) TAS1R3TAS1R1LAP3ANPEPMMP1
SCHEMBL14240482 0.74 ALDH1A1 (0.39) TAS1R3TAS1R1ANPEPALDH1A1NOS3
SCHEMBL30057219 0.72 ALDH1A1 (0.55) LAP3ALDH1A1

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-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 TAS1R3 4389/4885TAS1R1 3762/4885LAP3 890/4885

“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.