SCHEMBL6684906

SCHEMBL6684906

O=C(CC(S)CCC(Cc1cccc(-c2ccccc2)c1)C(=O)O)NO

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 3/20 0.54
MME P08473 4/20 0.45
ACE P12821 2/20 0.45
CPA1 P15085 1/20 0.45
ACE2 Q9BYF1 1/20 0.45
CPA3 P15088 1/20 0.45
LTA4H P09960 3/20 0.44
ANPEP P15144 1/20 0.44
ECE1 P42892 1/20 0.44
MMP1 P03956 1/20 0.43
FCER2 P06734 1/20 0.43

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
SCHEMBL5051254 0.86 FOLH1 (0.53) FOLH1MMEACECPA3LTA4H
SCHEMBL5053236 0.86 FOLH1 (0.75) FOLH1ANPEP
SCHEMBL5057866 0.79 FOLH1 (0.72) FOLH1ANPEP
SCHEMBL5054576 0.79 FOLH1 (0.48) FOLH1MMECPA3LTA4HANPEP
SCHEMBL5051212 0.78 FOLH1 (0.47) FOLH1CPA3LTA4H
SCHEMBL5058027 0.76 FOLH1 (0.75) FOLH1CPA3
SCHEMBL5059709 0.76 FOLH1 (0.51) FOLH1
SCHEMBL6841478 0.75 CYP1A2 (0.51) FOLH1MMEACECPA1ACE2
SCHEMBL5870627 0.75 CYP1A2 (0.51) FOLH1MMEACECPA1ACE2
SCHEMBL5054573 0.75 FOLH1 (0.50) FOLH1MMELTA4HANPEPECE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040186081-A1 Naaladase inhibitors for treating opioid tolerance GUILFORD PHARMACEUTICALS INC. 2004-09-23 US claimed
WO-2004078180-A2 NAALADASE INHIBITORS FOR TREATING OPIOID TOLERANCE GUILFORD PHARMACEUTICALS INC. (US) 2004-09-16 WO claimed
EP-1292601-A2 NAALADASE INHIBITORS FOR TREATING RETINAL DISORDERS AND GLAUCOMA GUILFORD PHARMACEUTICALS INC. (US) 2003-03-19 EP claimed
US-20030036534-A1 Naaladase inhibitors for treating retinal disorders and glaucoma EISAI INC. 2003-02-20 US claimed
WO-2001092274-A2 NAALADASE INHIBITORS FOR TREATING RETINAL DISORDERS AND GLAUCOMA GUILFORD PHARMACEUTICALS INC. (US) 2001-12-06 WO claimed

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-20040186081-A1 Naaladase inhibitors for treating opioid tolerance OPRD1, OPRK1, OPRM1 FOLH1 254/4885MME 198/4885ACE 128/4885
US-20030036534-A1 Naaladase inhibitors for treating retinal disorders and glaucoma ALDH1A2, GAA, PDE6A FOLH1 124/4885MME 591/4885ACE 69/4885

“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.