SCHEMBL19742338

SCHEMBL19742338

O=C(O)CCC(C/N=[SH](=O)\Cc1ccccc1)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CPA3 P15088 2/20 0.58
▸ FOLH1 Q04609 2/20 0.46
▸ CYP1A2 P05177 2/20 0.42
▸ NAALAD2 Q9Y3Q0 2/20 0.42
▸ CPA1 P15085 2/20 0.41
▸ CPB1 P15086 1/20 0.41
▸ CPB2 Q96IY4 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40

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
SCHEMBL19742368 0.86 CPA3 (0.55) CPA3FOLH1CYP1A2NAALAD2
SCHEMBL21314340 0.83 CPA3 (0.52) CPA3FOLH1CPB2
SCHEMBL23923864 0.79 CPA3 (0.53) CPA3FOLH1CYP1A2NAALAD2ALDH1A1
SCHEMBL29088272 0.74 CPA3 (1.00) CPA3FOLH1CYP1A2NAALAD2CPA1
SCHEMBL3963424 0.74 CPA3 (1.00) CPA3FOLH1CYP1A2NAALAD2CPA1
SCHEMBL1376183 0.73 CPA3 (0.58) CPA3FOLH1CYP1A2NAALAD2CPA1
SCHEMBL7350860 0.73 CPA3 (0.71) CPA3FOLH1CYP1A2CPA1
SCHEMBL1377036 0.70 CPA3 (0.54) CPA3FOLH1CYP1A2NAALAD2
SCHEMBL17912665 0.70 FOLH1 (0.42) FOLH1NAALAD2
SCHEMBL3774843 0.69 CPA3 (0.51) CPA3FOLH1CYP1A2NAALAD2ALDH1A1

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 1150/4885FOLH1 20/4885CYP1A2 4331/4885

“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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