SCHEMBL23966122

SCHEMBL23966122

C=CSC[C@H](NC(=O)CCCC(=O)O)C(=O)NCC(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 1/20 0.41
▸ GSTK1 Q9Y2Q3 1/20 0.41
▸ GLO1 Q04760 4/20 0.37
▸ GNPAT O15228 1/20 0.35
▸ MAPT P10636 4/20 0.33
▸ ABCC4 O15439 1/20 0.33
▸ ALDH1A1 P00352 2/20 0.32
▸ TDP1 Q9NUW8 2/20 0.32
▸ LMNA P02545 1/20 0.32
▸ PTGS2 P35354 1/20 0.32
▸ EPHX2 P34913 2/20 0.32
▸ PTPN1 P18031 1/20 0.31
▸ FAAH O00519 4/20 0.31
▸ ITGB3 P05106 1/20 0.31
▸ ITGA2B P08514 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ USP2 O75604 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31

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
SCHEMBL20438348 0.87 PTGS1 (0.46) PTGS1GSTK1GLO1GNPATMAPT
SCHEMBL26242264 0.87 PTGS1 (0.46) PTGS1GSTK1GLO1GNPATMAPT
SCHEMBL24374682 0.83 PTGS1 (0.45) PTGS1GSTK1GLO1GNPATMAPT
SCHEMBL24271788 0.80 FAAH (0.40) PTGS1GSTK1GLO1MAPTALDH1A1
SCHEMBL24072492 0.80 PTGS1 (0.42) PTGS1GSTK1GLO1GNPATMAPT
SCHEMBL19774718 0.80 PTGS1 (0.42) PTGS1GSTK1GLO1GNPATMAPT
SCHEMBL19492417 0.78 PTGS1 (0.41) PTGS1GSTK1GLO1GNPATMAPT
SCHEMBL19709736 0.77 PTGS1 (0.65) PTGS1GSTK1GLO1
SCHEMBL19774705 0.77 GSTK1 (0.65) PTGS1GSTK1GLO1GNPATMAPT
SCHEMBL24829528 0.77 GSTK1 (0.65) PTGS1GSTK1GLO1GNPATMAPT

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-20230348529-A1 CHEMOSELECTIVE THIOL-CONJUGATION WITH ALKENE OR ALKYNE-PHOSPHONAMIDATES FORSCHUNGSVERBUND BERLIN EV (DE) 2023-11-02 — — US disclosed
US-11161873-B2 Chemoselective thiol-conjugation with alkene or alkyne-phosphonamidates FORSCHUNGSVERBUND BERLIN E.V. (DE) 2021-11-02 — — 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-11161873-B2 Chemoselective thiol-conjugation with alkene or alkyne-phosphonamidates TST, PHOSPHO1, TMT1A PTGS1 3650/4885GSTK1 386/4885GLO1 2129/4885
US-20230348529-A1 CHEMOSELECTIVE THIOL-CONJUGATION WITH ALKENE OR ALKYNE-PHOSPHONAMIDATES PFAS, PHOSPHO1, PNKP PTGS1 3563/4885GSTK1 484/4885GLO1 967/4885

“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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