SCHEMBL1763534

SCHEMBL1763534

N=C(NC(=O)OCc1ccccc1)NC(=O)c1ccc(C2=CCN(C(=O)c3cnc[nH]3)CC2)c(C(F)(F)F)c1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BTK Q06187 7/20 0.41
PTGDR2 Q9Y5Y4 3/20 0.34
LNPEP Q9UIQ6 1/20 0.34
MAPT P10636 2/20 0.34
MMP2 P08253 1/20 0.34
MMP3 P08254 1/20 0.34
TDP1 Q9NUW8 1/20 0.33
RBP4 P02753 1/20 0.33
WDR5 P61964 1/20 0.33
MTOR P42345 1/20 0.32

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
SCHEMBL1763602 0.84 P2RX7 (0.39) BTKPTGDR2MMP2MMP3
SCHEMBL1763452 0.84 JAK1 (0.36) MAPTRBP4WDR5
SCHEMBL1763732 0.83 CYP2D6 (0.39) BTKPTGDR2MAPTMMP2MMP3
SCHEMBL1764069 0.71 SLC9A1 (0.50) BTKRBP4
SCHEMBL1763934 0.70 SLC9A1 (0.54) RBP4
SCHEMBL1763563 0.69 SLC9A1 (0.51) RBP4
SCHEMBL1840448 0.69 PTGDR2 (0.38) BTKPTGDR2LNPEPMAPTMMP2
SCHEMBL1762989 0.67 SLC9A1 (0.49) RBP4
SCHEMBL1763651 0.67 SLC9A1 (0.46) RBP4
SCHEMBL1763706 0.67 RBP4 (0.56) RBP4

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-20110118262-A1 Pyrrolidinyl and Piperidinyl Compounds Useful as NHE-1 Inhibitiors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-05-19 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-20110118262-A1 Pyrrolidinyl and Piperidinyl Compounds Useful as NHE-1 Inhibitiors NHERF1, SLC9A1, SLC9A5 BTK 4052/4885PTGDR2 923/4885LNPEP 2191/4885

“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.