SCHEMBL4620825

SCHEMBL4620825

NCC(Cc1ccc(O)cc1)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SLC7A5 Q01650 1/20 0.61
▸ CYP1A2 P05177 1/20 0.53
▸ ANPEP P15144 3/20 0.49
▸ ERAP2 Q6P179 3/20 0.49
▸ ERAP1 Q9NZ08 2/20 0.49
▸ LAP3 P28838 1/20 0.49
▸ ENPEP Q07075 1/20 0.49
▸ SLC1A3 P43003 1/20 0.47
▸ SLC1A2 P43004 1/20 0.47
▸ SLC1A1 P43005 1/20 0.47
▸ CPA1 P15085 2/20 0.47
▸ CPA3 P15088 2/20 0.47
▸ FOLH1 Q04609 1/20 0.47
▸ CPB1 P15086 1/20 0.47
▸ CPB2 Q96IY4 1/20 0.47
▸ TAAR1 Q96RJ0 2/20 0.47
▸ SLC6A2 P23975 1/20 0.47
▸ MME P08473 1/20 0.47

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
SCHEMBL4738660 1.00 SLC7A5 (0.61) SLC7A5CYP1A2ANPEPERAP2ERAP1
SCHEMBL10436391 0.88 CYP1A2 (0.68) SLC7A5CYP1A2ANPEPERAP2ERAP1
SCHEMBL28035896 0.85 SLC7A5 (0.58) SLC7A5CYP1A2ANPEPERAP2ERAP1
SCHEMBL4738634 0.84 CYP1A2 (0.76) SLC7A5CYP1A2ANPEPERAP2SLC1A3
SCHEMBL5171909 0.84 CYP1A2 (0.76) SLC7A5CYP1A2ANPEPERAP2SLC1A3
SCHEMBL558159 0.84 CYP1A2 (0.76) SLC7A5CYP1A2ANPEPERAP2SLC1A3
SCHEMBL12528500 0.84 SLC7A5 (0.60) SLC7A5CYP1A2ANPEPERAP2ERAP1
SCHEMBL12494638 0.84 SLC7A5 (0.60) SLC7A5CYP1A2ANPEPERAP2ERAP1
SCHEMBL4990096 0.83 SLC7A5 (0.51) SLC7A5CYP1A2ANPEPERAP2ERAP1
SCHEMBL21193997 0.83 CYP1A2 (0.52) CYP1A2ANPEPERAP2SLC1A3SLC1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1883620-A1 ß-AMINO ACID DERIVATIVES Pfizer Limited (GB) 2008-02-06 — — EP claimed
WO-2006120544-A1 β-AMINO ACID DERIVATIVES PFIZER LIMITED (GB) 2006-11-16 — — WO claimed
US-20150191459-A1 CATHEPSIN INHIBITORS VIROBAY, INC. 2015-07-09 — — US disclosed
US-20140256698-A1 CATHEPSIN INHIBITORS VIROBAY, INC. 2014-09-11 — — US disclosed
EP-1883620-A1 ß-AMINO ACID DERIVATIVES Pfizer Limited (GB) 2008-02-06 — — EP disclosed
WO-2006120544-A1 β-AMINO ACID DERIVATIVES PFIZER LIMITED (GB) 2006-11-16 — — 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 (2 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-20150191459-A1 CATHEPSIN INHIBITORS CTSF, CTSZ, CTSV SLC7A5 1448/4885CYP1A2 4403/4885ANPEP 46/4885
US-20140256698-A1 CATHEPSIN INHIBITORS CTSF, CTSZ, CTSV SLC7A5 1448/4885CYP1A2 4403/4885ANPEP 46/4885

“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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