SCHEMBL17798537

SCHEMBL17798537

CC(C)[C@H](NC(=O)CCCCCN1C(=O)C=CC1=O)C(=O)N[C@@H](CCCNC(N)=O)C(=O)Nc1ccc(Cc2cc([N+](=O)[O-])ccc2OC(=O)O)cc1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ FAP Q12884 5/20 0.40
▸ PDF Q9HBH1 1/20 0.35
▸ SSTR3 P32745 1/20 0.34
▸ HRH1 P35367 4/20 0.33
▸ FURIN P09958 2/20 0.33
▸ MEN1 O00255 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ MAP1LC3B Q9GZQ8 2/20 0.32
▸ NPY4R P50391 2/20 0.32
▸ NPY1R P25929 1/20 0.32
▸ NPY2R P49146 1/20 0.32
▸ NPY5R Q15761 1/20 0.32
▸ PARP14 Q460N5 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
SCHEMBL17798538 1.00 FAP (0.40) FAPPDFSSTR3HRH1FURIN
SCHEMBL17798539 1.00 FAP (0.40) FAPPDFSSTR3HRH1FURIN
SCHEMBL32667900 0.94 FAP (0.36) FAPPDFSSTR3HRH1FURIN
SCHEMBL28957936 0.91 FAP (0.40) FAPPDFSSTR3HRH1FURIN
Bicarbonate SCHEMBL30831347 0.89 FAP (0.42) FAPPDFSSTR3FURINKMT2A
SCHEMBL16279551 0.88 MEN1 (0.34) HRH1MEN1ALDH1A1KMT2AL3MBTL1
SCHEMBL16279555 0.88 MEN1 (0.34) HRH1MEN1ALDH1A1KMT2AL3MBTL1
SCHEMBL20184659 0.85 FAP (0.45) FAPPDFSSTR3ALDH1A1L3MBTL1
SCHEMBL15676509 0.85 FAP (0.45) FAPPDFSSTR3ALDH1A1L3MBTL1
SCHEMBL29558207 0.85 FAP (0.38) FAPPDFSSTR3FURINMEN1

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-20160158377-A1 BCL-XL Inhibitory Compounds and Antibody Drug Conjugates Including the Same ABBVIE INC. (US) 2016-06-09 — — 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-20160158377-A1 BCL-XL Inhibitory Compounds and Antibody Drug Conjugates Including the Same BCL2, BCL2L10, BAX FAP 4180/4885PDF 1531/4885SSTR3 4027/4885

“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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