SCHEMBL15616293

SCHEMBL15616293

CCCCOc1ccc(S(=O)(=O)NCCOCCOCCNC(=O)OC(C)(C)C)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.61
CA1 P00915 5/20 0.61
CA2 P00918 5/20 0.61
CA9 Q16790 5/20 0.61
MMP1 P03956 2/20 0.52
ADAMTS4 O75173 1/20 0.52
MMP2 P08253 1/20 0.52
MMP13 P45452 1/20 0.52
MMP14 P50281 1/20 0.52
ADAMTS5 Q9UNA0 1/20 0.52
ALDH1A1 P00352 5/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
TSHR P16473 1/20 0.47
BCHE P06276 1/20 0.47
CNR2 P34972 1/20 0.47
MEN1 O00255 1/20 0.46
HTT P42858 1/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45

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
SCHEMBL29695319 0.88 CA12 (0.65) CA12CA1CA2CA9MMP1
SCHEMBL15570889 0.85 CA12 (0.54) CA12CA1CA2CA9MMP1
SCHEMBL21637833 0.85 CA1 (0.65) CA12CA1CA2CA9BCHE
SCHEMBL21625801 0.85 CA1 (0.65) CA12CA1CA2CA9BCHE
SCHEMBL15570395 0.85 CA1 (0.52) CA12CA1CA2CA9ALDH1A1
SCHEMBL30371850 0.85 CA1 (0.52) CA12CA1CA2CA9MMP1
SCHEMBL15570246 0.85 CA1 (0.52) CA12CA1CA2CA9ALDH1A1
SCHEMBL991695 0.84 CA1 (0.62) CA12CA1CA2CA9MMP1
SCHEMBL22520879 0.84 CA1 (0.54) CA12CA1CA2CA9ALDH1A1
SCHEMBL15616259 0.83 MMP1 (0.53) MMP1ADAMTS4MMP2MMP13MMP14

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-20150336892-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) 2015-11-26 US disclosed
WO-2014029983-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) 2014-02-27 WO 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-20150336892-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 CA12 2856/4885CA1 3458/4885CA2 587/4885

“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.