SCHEMBL19225239

SCHEMBL19225239

CN(C)CCOC(=O)CCC(CP(=O)(O)O)C(=O)OCCN(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 1/20 0.45
FOLH1 Q04609 5/20 0.39
NAALAD2 Q9Y3Q0 1/20 0.39
CHRM1 P11229 3/20 0.39
CHRM2 P08172 2/20 0.39
CHRM3 P20309 2/20 0.39
CHRM4 P08173 1/20 0.39
CHRM5 P08912 1/20 0.39
CHRNB2 P17787 1/20 0.39
CHRNA4 P43681 1/20 0.39
ALDH1A1 P00352 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C19 P33261 1/20 0.34
GAA P10253 1/20 0.34
BLM P54132 1/20 0.33
PMP22 Q01453 1/20 0.33
THRB P10828 1/20 0.33
PHLPP2 Q6ZVD8 1/20 0.31

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
SCHEMBL19242717 0.88 FOLH1 (0.54) DNM1FOLH1NAALAD2CHRM1CHRM2
SCHEMBL17504761 0.83 FOLH1 (0.42) FOLH1NAALAD2ALDH1A1
SCHEMBL17533650 0.78 FOLH1 (0.40) FOLH1NAALAD2ALDH1A1CYP2C19
SCHEMBL19225238 0.77 FOLH1 (0.39) FOLH1NAALAD2
SCHEMBL17504782 0.76 L3MBTL1 (0.46) FOLH1NAALAD2ALDH1A1SMN1; SMN2CYP1A2
SCHEMBL13320155 0.74 DNM1 (0.53) DNM1CHRM1CHRM2CHRM3CHRM4
SCHEMBL9480399 0.74 DNM1 (0.56) DNM1CHRM1CHRM2CHRM3CHRM4
SCHEMBL3032152 0.73 DNM1 (0.51) DNM1CHRM1CHRM2CHRM3CHRM4
SCHEMBL3038090 0.73 DNM1 (0.68) DNM1CHRM1CHRM2CHRM3CHRM4
SCHEMBL17504780 0.71 FOLH1 (0.46) FOLH1NAALAD2CA1CA2

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-20170226141-A1 PRODRUGS OF PROSTATE SPECIFIC MEMBRANE ANTIGEN (PSMA) INHIBITOR THE JOHNS HOPKINS UNIVERSITY (US) 2017-08-10 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-20170226141-A1 PRODRUGS OF PROSTATE SPECIFIC MEMBRANE ANTIGEN (PSMA) INHIBITOR FOLH1, KLK3, DNPEP DNM1 3698/4885FOLH1 1/4885NAALAD2 111/4885

“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.