SCHEMBL19742368

SCHEMBL19742368

O=C(O)CCC(C/N=[SH](=O)\CCc1ccccc1)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CPA3 P15088 1/20 0.55
▸ KEAP1 Q14145 1/20 0.45
▸ FOLH1 Q04609 1/20 0.44
▸ HDAC3 O15379 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ ADRA1A P35348 1/20 0.42
▸ HDAC4 P56524 1/20 0.42
▸ SLC6A3 Q01959 1/20 0.42
▸ HDAC1 Q13547 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ HDAC7 Q8WUI4 1/20 0.42
▸ HDAC2 Q92769 1/20 0.42
▸ HDAC10 Q969S8 1/20 0.42
▸ HDAC11 Q96DB2 1/20 0.42
▸ HDAC8 Q9BY41 1/20 0.42
▸ HDAC6 Q9UBN7 1/20 0.42
▸ HDAC9 Q9UKV0 1/20 0.42
▸ HDAC5 Q9UQL6 1/20 0.42
▸ FFAR1 O14842 1/20 0.42
▸ MAPT P10636 1/20 0.41

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
SCHEMBL21314340 0.92 CPA3 (0.52) CPA3KEAP1FOLH1HDAC3MAPK1
SCHEMBL19742338 0.86 CPA3 (0.58) CPA3FOLH1NAALAD2CYP1A2
SCHEMBL7350860 0.77 CPA3 (0.71) CPA3KEAP1FOLH1HDAC3MAPK1
SCHEMBL23923864 0.77 CPA3 (0.53) CPA3FOLH1MAPK1NAALAD2CYP1A2
SCHEMBL1377036 0.74 CPA3 (0.54) CPA3KEAP1FOLH1HDAC3MAPK1
SCHEMBL17912665 0.74 FOLH1 (0.42) FOLH1MAPK1NAALAD2
SCHEMBL5057861 0.72 CPA3 (0.51) CPA3KEAP1FOLH1HDAC3MAPK1
SCHEMBL29088272 0.72 CPA3 (1.00) CPA3FOLH1NAALAD2CYP1A2
SCHEMBL3963424 0.72 CPA3 (1.00) CPA3FOLH1NAALAD2CYP1A2
SCHEMBL1376183 0.71 CPA3 (0.58) CPA3FOLH1NAALAD2CYP1A2

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-20170368208-A1 CANCER IMAGING AGENT ENDOCYTE INC (US) 2017-12-28 — — 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-20170368208-A1 CANCER IMAGING AGENT TSG101, TP53, VHL CPA3 1150/4885KEAP1 3321/4885FOLH1 20/4885

“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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