SCHEMBL15432839

SCHEMBL15432839

COCCOCCOCCOCCOCCOCCOCCOCCNC(=O)C1CCCCN1CCN(C)C(=O)OCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.43
FKBP1A P62942 6/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
PTGER4 P35408 2/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.40
PRCP P42785 1/20 0.40
LTA4H P09960 2/20 0.39
TMEM97 Q5BJF2 1/20 0.38
CYP3A4 P08684 1/20 0.38
MAPT P10636 1/20 0.38
CYP2C9 P11712 1/20 0.38
TSHR P16473 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL15444464 1.00 SIGMAR1 (0.43) SIGMAR1FKBP1ASMN1; SMN2PTGER4ALDH1A1
SCHEMBL15421166 0.84 PTGER4 (0.37) SMN1; SMN2PTGER4ALDH1A1LMNALTA4H
SCHEMBL40125 0.83 FKBP1A (0.53) SIGMAR1FKBP1AALDH1A1LTA4HCYP3A4
SCHEMBL40124 0.83 FKBP1A (0.53) SIGMAR1FKBP1AALDH1A1LTA4HCYP3A4
SCHEMBL40181 0.81 SIGMAR1 (0.54) SIGMAR1FKBP1ASMN1; SMN2
SCHEMBL40182 0.81 SIGMAR1 (0.54) SIGMAR1FKBP1ASMN1; SMN2
SCHEMBL15432838 0.74 PTGER4 (0.38) SMN1; SMN2PTGER4ALDH1A1LMNALTA4H
SCHEMBL45606 0.74 PTGER4 (0.38) SMN1; SMN2PTGER4ALDH1A1LMNALTA4H
SCHEMBL45550 0.72 SMN1; SMN2 (0.37) FKBP1ASMN1; SMN2PTGER4ALDH1A1LMNA
SCHEMBL13783440 0.70 ALDH1A1 (0.48) FKBP1ASMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140023611-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX, INC. 2014-01-23 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 (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-20140023611-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT SLC10A2, SLC34A2, SLC34A3 SIGMAR1 1812/4885FKBP1A 2199/4885SMN1; SMN2 4864/4885

“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.