SCHEMBL17806161

SCHEMBL17806161

CC(=N)NCCCC(NC(C)C)C(=O)C(C)C

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ FOLH1 Q04609 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ HIF1A Q16665 1/20 0.31
▸ EPHX1 P07099 1/20 0.30

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
SCHEMBL14599990 0.86 NPY4R (0.38) —
SCHEMBL7602596 0.86 NPY4R (0.38) —
SCHEMBL26204935 0.84 — —
SCHEMBL22013279 0.84 EPHX1 (0.35) EPHX1
SCHEMBL21262051 0.83 CHRNB2 (0.32) —
SCHEMBL23872238 0.82 C3AR1 (0.36) EPHX1
SCHEMBL22215553 0.82 C3AR1 (0.36) EPHX1
SCHEMBL16231519 0.82 KDM4E (0.48) FOLH1KDM4EMAPK1HIF1AEPHX1
SCHEMBL12055210 0.82 KDM4E (0.48) FOLH1KDM4EMAPK1HIF1AEPHX1
SCHEMBL22215549 0.81 NPY4R (0.38) —

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-20170144998-A1 ELASTASE INHIBITORS THE CALIFORNIA INSTITUTE FOR BIOMEDICAL RESEARCH 2017-05-25 — — US disclosed
US-9656972-B2 Compounds for treatment of cystic fibrosis THE CALIFORNIA INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2017-05-23 — — US disclosed
US-20160159754-A1 COMPOUNDS FOR TREATMENT OF CYSTIC FIBROSIS THE CALIFORNIA INSTITUTE FOR BIOMEDICAL RESEARCH 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 (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-20160159754-A1 COMPOUNDS FOR TREATMENT OF CYSTIC FIBROSIS CFTR, ELANE, OTC FOLH1 1386/4885KDM4E 4623/4885MAPK1 4495/4885
US-20170144998-A1 ELASTASE INHIBITORS SERPINB1, ELANE, CELA1 FOLH1 950/4885KDM4E 3860/4885MAPK1 4228/4885

“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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