SCHEMBL13853137

SCHEMBL13853137

CC(=O)OC(C)C(=O)NCCNC(=O)C(C)OC(C)=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.44
USP2 O75604 2/20 0.43
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
CHRM2 P08172 1/20 0.39
CHRM4 P08173 1/20 0.39
CHRM1 P11229 1/20 0.39
TBXA2R P21731 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
MAPT P10636 3/20 0.38
GALR3 O60755 1/20 0.38
BLM P54132 1/20 0.38
TRPV1 Q8NER1 1/20 0.36
GAA P10253 1/20 0.35
ALDH1A1 P00352 4/20 0.34
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC2 Q92769 1/20 0.34

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
SCHEMBL14184556 0.92 TSHR (0.38) TSHRUSP2MEN1KMT2ACHRM2
SCHEMBL16342116 0.88 TSHR (0.38) TSHRUSP2MEN1KMT2ACHRM2
SCHEMBL16425265 0.88 TSHR (0.38) TSHRUSP2MEN1KMT2ACHRM2
SCHEMBL12659539 0.82 TSHR (0.33) TSHRMEN1KMT2ACHRM2CHRM4
SCHEMBL12659581 0.82 TSHR (0.33) TSHRMEN1KMT2ACHRM2CHRM4
SCHEMBL16920462 0.82 TSHR (0.33) TSHRMEN1KMT2ACHRM2CHRM4
SCHEMBL16425266 0.82 TSHR (0.33) TSHRMEN1KMT2ACHRM2CHRM4
SCHEMBL19774492 0.80 SMN1; SMN2 (0.36) TSHRMEN1KMT2ASMN1; SMN2MAPT
SCHEMBL13415809 0.76 TSHR (0.48) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL4148562 0.74 TSHR (0.46) TSHRCHRM2CHRM4CHRM1TBXA2R

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-20090123391-A1 Novel Formulations 3M INNOVATIVE PROPERTIES COMPANY (US) 2009-05-14 US disclosed
US-20080112894-A1 N,N'-ethylenebis(acetyloligolactyl)amide comprising ethylenediamine amidated on both ends with polylactic acid having esterified end groups; use with drugs in a metered dose inhaler; stability enhanced by keeping hydroxyl end group impurities low 3M INNOVATIVE PROPERTIES COMPANY 2008-05-15 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-20090123391-A1 Novel Formulations PFN1, CCL11, MFAP1 TSHR 3030/4885USP2 1147/4885MEN1 1647/4885
US-20080112894-A1 N,N'-ethylenebis(acetyloligolactyl)amide comprising ethylenediamine amidated on both ends with polylactic acid having esterified end groups; use with drugs in a metered dose inhaler; stability enhanced by keeping hydroxyl end group impurities low SIGMAR1, OXER1, OPRM1 TSHR 289/4885USP2 2301/4885MEN1 2814/4885

“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.