SCHEMBL23923864

SCHEMBL23923864

O=C(O)CCC(C/N=[SH](=O)/c1ccccc1)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CPA3 P15088 1/20 0.53
▸ ALDH1A1 P00352 2/20 0.42
▸ CYP2D6 P10635 2/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ FOLH1 Q04609 8/20 0.42
▸ NAALAD2 Q9Y3Q0 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ GLA P06280 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ ALOX12 P18054 1/20 0.38
▸ NFKB1 P19838 1/20 0.38
▸ APEX1 P27695 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ GRM3 Q14832 2/20 0.38

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
SCHEMBL19742338 0.79 CPA3 (0.58) CPA3ALDH1A1CYP2D6CYP1A2TSHR
SCHEMBL19742368 0.77 CPA3 (0.55) CPA3CYP1A2FOLH1NAALAD2MAPK1
SCHEMBL21314340 0.75 CPA3 (0.52) CPA3FOLH1MAPK1
SCHEMBL3774843 0.71 CPA3 (0.51) CPA3ALDH1A1CYP2D6CYP1A2TSHR
SCHEMBL1376183 0.70 CPA3 (0.58) CPA3ALDH1A1CYP2D6CYP1A2TSHR
SCHEMBL29088272 0.69 CPA3 (1.00) CPA3CYP1A2FOLH1NAALAD2
SCHEMBL3963424 0.69 CPA3 (1.00) CPA3CYP1A2FOLH1NAALAD2
SCHEMBL7903568 0.69 CPA3 (0.73) CPA3ALDH1A1CYP2D6CYP1A2TSHR
SCHEMBL7350860 0.68 CPA3 (0.71) CPA3CYP1A2FOLH1MAPK1
SCHEMBL1377036 0.67 CPA3 (0.54) CPA3CYP1A2FOLH1NAALAD2MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11318121-B2 PSMA binding ligand-linker conjugates and methods for using PURDUE RESEARCH FOUNDATION (US) 2022-05-03 — — US disclosed
US-20210322388-A1 PSMA BINDING LIGAND-LINKER CONJUGATES AND METHODS FOR USING PURDUE RESEARCH FOUNDATION 2021-10-21 — — 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 (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-20210322388-A1 PSMA BINDING LIGAND-LINKER CONJUGATES AND METHODS FOR USING FOLH1, KLK3, PSMA1 CPA3 525/4885ALDH1A1 2843/4885CYP2D6 4633/4885
US-11318121-B2 PSMA binding ligand-linker conjugates and methods for using FOLH1, KLK3, PSMA1 CPA3 525/4885ALDH1A1 2843/4885CYP2D6 4633/4885

“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.

Send feedback