SCHEMBL16946352

SCHEMBL16946352

CC(C)[C@H](NC(=O)CCOCCOCCOCCOCCOCCOCCN1C(=O)C=CC1=O)C(=O)N[C@@H](CCCNC(N)=O)C(=O)Nc1ccc(CO)cc1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ FAP Q12884 5/20 0.40
▸ FURIN P09958 4/20 0.36
▸ MAP1LC3B Q9GZQ8 2/20 0.36
▸ HTT P42858 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ SIRT2 Q8IXJ6 3/20 0.33
▸ SIRT1 Q96EB6 2/20 0.33
▸ HRH1 P35367 1/20 0.32
▸ NPY1R P25929 1/20 0.32
▸ NPY2R P49146 1/20 0.32
▸ NPY4R P50391 1/20 0.32
▸ NPY5R Q15761 1/20 0.32
▸ OPRK1 P41145 1/20 0.32

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
SCHEMBL24224636 1.00 FAP (0.40) FAPFURINMAP1LC3BHTTSMN1; SMN2
SCHEMBL22138625 1.00 FAP (0.40) FAPFURINMAP1LC3BHTTSMN1; SMN2
SCHEMBL23943282 1.00 FAP (0.40) FAPFURINMAP1LC3BHTTSMN1; SMN2
SCHEMBL27197502 1.00 FAP (0.40) FAPFURINMAP1LC3BHTTSMN1; SMN2
SCHEMBL25450085 1.00 FAP (0.40) FAPFURINMAP1LC3BHTTSMN1; SMN2
SCHEMBL24476142 0.99 FAP (0.40) FAPFURINMAP1LC3BHTTSMN1; SMN2
SCHEMBL22128021 0.99 FAP (0.40) FAPFURINMAP1LC3BHTTSMN1; SMN2
SCHEMBL22128022 0.99 FAP (0.40) FAPFURINMAP1LC3BHTTSMN1; SMN2
SCHEMBL32667737 0.99 FAP (0.40) FAPFURINMAP1LC3BHTTSMN1; SMN2
SCHEMBL21570028 0.94 FAP (0.39) FAPFURINMAP1LC3BHTTNPY1R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11365263-B2 Bifunctional cytotoxic agents containing the CTI pharmacophore PFIZER INC. (US) 2022-06-21 — — US disclosed
US-10391182-B2 Bifunctional cytotoxic agents PFIZER INC. (US) 2019-08-27 — — US disclosed
WO-2016151432-A1 BIFUNCTIONAL CYTOTOXIC AGENTS CONTAINING THE CTI PHARMACOPHORE PFIZER INC. (US) 2016-09-29 — — WO disclosed
US-20160271270-A1 BIFUNCTIONAL CYTOTOXIC AGENTS CONTAINING THE CTI PHARMACOPHORE PFIZER INC. (US) 2016-09-22 — — US disclosed
US-20150209445-A1 BIFUNCTIONAL CYTOTOXIC AGENTS PFIZER INC. 2015-07-30 — — 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 (4 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-20150209445-A1 BIFUNCTIONAL CYTOTOXIC AGENTS PAICS, CYTH3, CYTH2 FAP 2415/4885FURIN 3455/4885MAP1LC3B 1741/4885
US-20160271270-A1 BIFUNCTIONAL CYTOTOXIC AGENTS CONTAINING THE CTI PHARMACOPHORE CCNI, TTI1, TTI2 FAP 4221/4885FURIN 2289/4885MAP1LC3B 194/4885
US-10391182-B2 Bifunctional cytotoxic agents PAICS, CYTH3, CYTH2 FAP 2415/4885FURIN 3455/4885MAP1LC3B 1741/4885
US-11365263-B2 Bifunctional cytotoxic agents containing the CTI pharmacophore CCNI, TTI1, TTI2 FAP 4221/4885FURIN 2289/4885MAP1LC3B 194/4885

“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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