SCHEMBL19662091

SCHEMBL19662091

CCC(C)NC(=O)COCC(=O)NC(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 1/20 0.42
MMP2 P08253 1/20 0.42
MMP3 P08254 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
THRB P10828 1/20 0.42
HPGD P15428 1/20 0.42
PKM P14618 2/20 0.41
KDM4E B2RXH2 2/20 0.41
RXFP1 Q9HBX9 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
FAAH O00519 1/20 0.41
MAPK1 P28482 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
GAA P10253 2/20 0.40
EPHX1 P07099 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39

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
SCHEMBL13164724 0.87 LMNA (0.46) L3MBTL1HPGDKDM4EMEN1KMT2A
SCHEMBL8404981 0.81 GAA (0.46) L3MBTL1HPGDKDM4EMEN1KMT2A
SCHEMBL21350416 0.80 MEN1 (0.41) L3MBTL1HPGDKDM4EMEN1KMT2A
SCHEMBL8404850 0.79 MMP1 (0.39) MMP1MMP2MMP3L3MBTL1THRB
SCHEMBL24642948 0.79 LMNA (0.41) L3MBTL1HPGDKDM4EMEN1KMT2A
SCHEMBL11978610 0.79 LMNA (0.41) L3MBTL1HPGDKDM4EMEN1KMT2A
SCHEMBL13184561 0.79 LMNA (0.41) L3MBTL1HPGDKDM4EMEN1KMT2A
SCHEMBL23480156 0.79 MMP1 (0.50) MMP1MMP2MMP3L3MBTL1THRB
SCHEMBL14458150 0.79 MAPK1 (0.44) L3MBTL1HPGDKDM4EMEN1KMT2A
SCHEMBL24212836 0.79 LMNA (0.43) L3MBTL1HPGDKDM4EMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10543207-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) 2020-01-28 US disclosed
US-20170340623-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. 2017-11-30 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 (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-20170340623-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, FABP3 MMP1 1792/4885MMP2 2223/4885MMP3 975/4885
US-10543207-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, FABP3 MMP1 1792/4885MMP2 2223/4885MMP3 975/4885

“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.