SCHEMBL7645012

SCHEMBL7645012

O=C(O)C(CCc1ccsc1)N(Cc1ccccc1)[PH](=O)O

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 9/20 0.40
OPRK1 P41145 7/20 0.40
OPRD1 P41143 6/20 0.40
HCAR3 P49019 1/20 0.40
SLC1A3 P43003 2/20 0.39
SLC1A2 P43004 2/20 0.39
SLC1A1 P43005 2/20 0.39
RAB9A P51151 1/20 0.36
LTB4R Q15722 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A3 Q01959 1/20 0.35
GPR52 Q9Y2T5 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
SCHEMBL7647619 0.87 HCAR3 (0.41) OPRM1OPRK1OPRD1HCAR3SLC1A3
SCHEMBL7643171 0.79 CYP1A2 (0.44) SLC1A3SLC1A2SLC1A1SLC6A2SLC6A3
SCHEMBL3380508 0.79 CPA3 (0.46) RAB9ASLC6A3
SCHEMBL7645014 0.73 CHRNB2 (0.37) HCAR3LTB4R
SCHEMBL4314631 0.71 SLC1A3 (0.53) OPRM1OPRK1OPRD1SLC1A3SLC1A2
SCHEMBL3380552 0.68 HDAC1 (0.49) SLC6A3
SCHEMBL7647484 0.68 KMT2A (0.38) MEN1KMT2A
SCHEMBL21548477 0.68 SLC1A3 (0.56) SLC1A3SLC1A2SLC1A1
SCHEMBL7284399 0.68 SLC1A3 (0.56) SLC1A3SLC1A2SLC1A1
SCHEMBL7654496 0.67 EPOR (0.46) MEN1KMT2A

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-20020151503-A1 Methods of cancer treatment using naaladase inhibitors SLUSHER BARBARA S (US) 2002-10-17 US 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 (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-20020151503-A1 Methods of cancer treatment using naaladase inhibitors NAALAD2, DNPEP, ACP3 OPRM1 4770/4885OPRK1 4661/4885OPRD1 4620/4885

“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.