SCHEMBL12377250

SCHEMBL12377250

CCCCCCCCCCC(=O)NC(C)C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FAAH O00519 5/20 1.00
MEN1 O00255 2/20 1.00
KMT2A Q03164 2/20 1.00
MAPK1 P28482 1/20 1.00
DNM1 Q05193 1/20 0.61
HSP90AA1 P07900 1/20 0.59
NOD1 Q9Y239 1/20 0.56
PLA2G2C Q5R387 1/20 0.56
PLA2G10 O15496 2/20 0.56
EPHX1 P07099 1/20 0.55
ASAH2 Q9NR71 1/20 0.54
ALDH1A1 P00352 1/20 0.53
ASAH1 Q13510 1/20 0.53
ACER2 Q5QJU3 1/20 0.53
CES2 O00748 1/20 0.52

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
SCHEMBL1456458 1.00 FAAH (1.00) FAAHMEN1KMT2AMAPK1DNM1
SCHEMBL19557778 1.00 FAAH (1.00) FAAHMEN1KMT2AMAPK1DNM1
SCHEMBL1456455 1.00 FAAH (1.00) FAAHMEN1KMT2AMAPK1DNM1
SCHEMBL20143550 1.00 FAAH (1.00) FAAHMEN1KMT2AMAPK1DNM1
SCHEMBL4023787 1.00 FAAH (1.00) FAAHMEN1KMT2AMAPK1DNM1
SCHEMBL1456463 1.00 FAAH (1.00) FAAHMEN1KMT2AMAPK1DNM1
SCHEMBL277126 1.00 FAAH (1.00) FAAHMEN1KMT2AMAPK1DNM1
Hexadecanoic Acid Isopropylamide SCHEMBL1457147 1.00 FAAH (1.00) FAAHMEN1KMT2AMAPK1DNM1
SCHEMBL12459875 1.00 FAAH (1.00) FAAHMEN1KMT2AMAPK1DNM1
SCHEMBL5005939 1.00 FAAH (1.00) FAAHMEN1KMT2AMAPK1DNM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10385024-B2 Compounds and methods for inhibiting NHE-mediated antiport in the treatment of disorders associated with fluid retention or salt overload and gastrointestinal tract disorders ARDELYX, INC. (US) 2019-08-20 US disclosed
US-20150299131-A1 COMPOUNDS AND METHODS FOR INHIBITING NHE-MEDIATED ANTIPORT IN THE TREATMENT OF DISORDERS ASSOCIATED WITH FLUID RETENTION OR SALT OVERLOAD AND GASTROINTESTINAL TRACT DISORDERS ARDELYX, INC (US) 2015-10-22 US disclosed
US-7989422-B2 Antibacterial agents ALCHEMIA LIMITED (AU) 2011-08-02 US disclosed
US-20090023669-A1 Antibacterial Agents ALCHEMIA LIMITED (AU) 2009-01-22 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-20150299131-A1 COMPOUNDS AND METHODS FOR INHIBITING NHE-MEDIATED ANTIPORT IN THE TREATMENT OF DISORDERS ASSOCIATED WITH FLUID RETENTION OR SALT OVERLOAD AND GASTROINTESTINAL TRACT DISORDERS SLC10A1, SLC10A2, FABP2 FAAH 949/4885MEN1 4780/4885KMT2A 3985/4885
US-10385024-B2 Compounds and methods for inhibiting NHE-mediated antiport in the treatment of disorders associated with fluid retention or salt overload and gastrointestinal tract disorders SLC10A1, SLC10A2, FABP2 FAAH 949/4885MEN1 4780/4885KMT2A 3985/4885
US-20090023669-A1 Antibacterial Agents MRPL21, FUT6, FUT5 FAAH 3749/4885MEN1 2906/4885KMT2A 4563/4885

“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.