SCHEMBL7030950

SCHEMBL7030950

O=C(O)C[C@@H](C(=O)OP(=O)(Cl)Oc1ccccc1)N(OCc1ccccc1)OCc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KLK1 P06870 1/20 0.40
ELANE P08246 2/20 0.39
TP53 P04637 1/20 0.39
PRTN3 P24158 2/20 0.37
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
F2 P00734 2/20 0.36
PLAU P00749 2/20 0.36
PLAT P00750 2/20 0.36
ALDH1A1 P00352 1/20 0.35
ANPEP P15144 1/20 0.35
LAP3 P28838 1/20 0.35
CASP1 P29466 1/20 0.34
KLK8 O60259 1/20 0.34
F10 P00742 1/20 0.34
PLG P00747 1/20 0.34
KLK4 Q9Y5K2 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
SCHEMBL7025497 0.84 ANPEP (0.36) KLK1ELANEANPEPLAP3
SCHEMBL27554232 0.84 ANPEP (0.36) KLK1ELANEANPEPLAP3
SCHEMBL857081 0.71 ELANE (0.48) KLK1ELANETP53PRTN3KMT2A
SCHEMBL1812174 0.70 ELANE (0.45) ELANEPRTN3
SCHEMBL15721086 0.68 KMT2A (0.44) ELANETP53PRTN3KMT2A
SCHEMBL12502213 0.68 ELANE (0.41) ELANEPRTN3PLAUALDH1A1
SCHEMBL8519322 0.68 TSHR (0.53) ELANEKMT2AANPEPLAP3
SCHEMBL4277278 0.68 ENPP2 (0.34) ELANETP53KMT2ASMN1; SMN2ALDH1A1
SCHEMBL3971071 0.67 NPC1 (0.42) KLK1ELANETP53PRTN3KMT2A
SCHEMBL1811535 0.67 GAA (0.42) ELANEKMT2AF2PLAUPLAT

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 4 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
EP-1117669-A1 ANTIVIRAL PURINE DERIVATIVES UNIVERSITY COLLEGE CARDIFF CONSULTANTS LTD. (GB) 2001-07-25 EP disclosed
WO-2000018775-A1 ANTIVIRAL PURINE DERIVATIVES UNIVERSITY COLLEGE CARDIFF CONSULTANTS LIMITED (GB) 2000-04-06 WO 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 KLK1 4829/4885ELANE 3126/4885TP53 1938/4885

“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.