SCHEMBL29449790

SCHEMBL29449790

N=C(N)NCCC[C@H](NC(=O)[C@@H](N)CS)C(=O)NCC(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CS)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 1/20 0.41
▸ GSTK1 Q9Y2Q3 1/20 0.41
▸ FNTA P49354 6/20 0.40
▸ FNTB P49356 6/20 0.40
▸ PGGT1B P53609 5/20 0.40
▸ NPY4R P50391 10/20 0.38
▸ NPY1R P25929 6/20 0.38
▸ NPY2R P49146 4/20 0.38
▸ NPY5R Q15761 4/20 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
SCHEMBL29449792 1.00 PTGS1 (0.41) PTGS1GSTK1FNTAFNTBPGGT1B
SCHEMBL29568701 0.94 PTGS1 (0.43) PTGS1GSTK1FNTAFNTBPGGT1B
SCHEMBL30509912 0.94 PTGS1 (0.43) PTGS1GSTK1FNTAFNTBPGGT1B
SCHEMBL30767724 0.94 PTGS1 (0.43) PTGS1GSTK1FNTAFNTBPGGT1B
SCHEMBL30509913 0.94 PTGS1 (0.43) PTGS1GSTK1FNTAFNTBPGGT1B
SCHEMBL4755266 0.92 PTGS1 (0.46) PTGS1GSTK1FNTAFNTBPGGT1B
SCHEMBL23391080 0.91 PTGS1 (0.41) PTGS1GSTK1FNTAFNTBPGGT1B
SCHEMBL23391083 0.91 PTGS1 (0.41) PTGS1GSTK1FNTAFNTBPGGT1B
SCHEMBL23391087 0.91 PTGS1 (0.41) PTGS1GSTK1FNTAFNTBPGGT1B
SCHEMBL31236827 0.90 IL23R (0.42) FNTAFNTBPGGT1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240358710-A1 METHODS, COMPOSITIONS AND DEVICES FOR TREATING CANCER WITH ILLUDOFULVENES AF CHEMICALS, LLC (US) 2024-10-31 — — US disclosed
US-12023339-B2 Methods, compositions and devices for treating cancer with illudofulvenes AF CHEMICALS, LLC (US) 2024-07-02 — — US disclosed
US-20220040191-A1 METHODS, COMPOSITIONS AND DEVICES FOR TREATING CANCER WITH ILLUDOFULVENES AF CHEMICALS, LLC (US) 2022-02-10 — — 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 (3 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-20220040191-A1 METHODS, COMPOSITIONS AND DEVICES FOR TREATING CANCER WITH ILLUDOFULVENES MYC, MYCBP, TP53 PTGS1 2773/4885GSTK1 2542/4885FNTA 2046/4885
US-20240358710-A1 METHODS, COMPOSITIONS AND DEVICES FOR TREATING CANCER WITH ILLUDOFULVENES MYC, MYCBP, TP53 PTGS1 2773/4885GSTK1 2542/4885FNTA 2046/4885
US-12023339-B2 Methods, compositions and devices for treating cancer with illudofulvenes MYC, MYCBP, TP53 PTGS1 2773/4885GSTK1 2542/4885FNTA 2046/4885

“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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