SCHEMBL17806162

SCHEMBL17806162

CCCCCC(NC(C)C)C(=O)C(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 2/20 0.42
▸ MEN1 O00255 1/20 0.40
▸ FAAH O00519 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ ACE2 Q9BYF1 1/20 0.39
▸ CTSK P43235 1/20 0.39
▸ GPR84 Q9NQS5 5/20 0.38
▸ FFAR1 O14842 1/20 0.38
▸ EPHX1 P07099 1/20 0.38
▸ ZDHHC7 Q9NXF8 1/20 0.38
▸ MAPT P10636 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ LCK P06239 1/20 0.37
▸ PPARD Q03181 1/20 0.37
▸ ZDHHC20 Q5W0Z9 1/20 0.37
▸ ZDHHC2 Q9UIJ5 1/20 0.37
▸ NOD1 Q9Y239 1/20 0.37
▸ ADH1B P00325 1/20 0.36
▸ ADH1C P00326 1/20 0.36

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
SCHEMBL16689672 1.00 CA1 (0.42) CA1MEN1FAAHMAPK1KMT2A
SCHEMBL25460712 0.94 CTSK (0.43) CA1MEN1FAAHMAPK1KMT2A
SCHEMBL17806174 0.94 CTSK (0.43) CA1MEN1FAAHMAPK1KMT2A
SCHEMBL18494887 0.94 CTSK (0.43) CA1MEN1FAAHMAPK1KMT2A
SCHEMBL10166039 0.86 HDAC7 (0.35) MEN1FAAHMAPK1KMT2ACTSK
SCHEMBL24221392 0.86 HDAC7 (0.35) MEN1FAAHMAPK1KMT2ACTSK
SCHEMBL24221039 0.85 KDM4C (0.38) CA1
SCHEMBL25453667 0.85 FAAH (0.44) CA1MEN1FAAHMAPK1KMT2A
SCHEMBL13337133 0.83 EPHX1 (0.44) CA1MEN1FAAHMAPK1KMT2A
SCHEMBL13573523 0.83 FOLH1 (0.40) —

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 CA1 4834/4885MEN1 4488/4885FAAH 2263/4885
US-20170144998-A1 ELASTASE INHIBITORS SERPINB1, ELANE, CELA1 CA1 2289/4885MEN1 3096/4885FAAH 592/4885

“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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