SCHEMBL7022706

SCHEMBL7022706

CON[C@@H](CC1CCCCC1)C(=O)OP(=O)(Cl)Oc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 1/20 0.44
METAP1 P53582 1/20 0.44
CTSS P25774 11/20 0.43
CTSL P07711 7/20 0.41
CTSK P43235 6/20 0.41
CTSB P07858 2/20 0.41
NPY5R Q15761 1/20 0.41
GRN P28799 1/20 0.38
SORT1 Q99523 1/20 0.38
DPP7 Q9UHL4 1/20 0.36
MMP1 P03956 1/20 0.36
MMP2 P08253 1/20 0.36
MMP3 P08254 1/20 0.36
KLK7 P49862 1/20 0.36

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
SCHEMBL7793343 0.90 NPY5R (0.41) METAP2METAP1CTSSCTSLCTSK
SCHEMBL7771508 0.88 METAP2 (0.39) METAP2METAP1CTSSCTSLCTSK
SCHEMBL1810431 0.81 ANPEP (0.45) CTSSCTSLCTSKMMP1MMP3
SCHEMBL1811535 0.80 GAA (0.42)
SCHEMBL15487543 0.77 DPP7 (0.38) METAP2METAP1NPY5RDPP7
SCHEMBL7021781 0.76 DPP7 (0.39) NPY5RDPP7
SCHEMBL5996997 0.75 BTN3A1 (0.40)
SCHEMBL643837 0.75 BTN3A1 (0.40)
SCHEMBL7021900 0.73 DPP4 (0.36) NPY5RDPP7
SCHEMBL2012767 0.73 ELANE (0.40)

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 METAP2 676/4885METAP1 228/4885CTSS 2361/4885

“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.