SCHEMBL22674784

SCHEMBL22674784

CCCCCCCCCCCC(=O)NC(CCCCNC(=O)CCOC(C)C)C(N)=O

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ NOD1 Q9Y239 3/20 0.53
▸ TLR2 O60603 1/20 0.52
▸ GLP1R P43220 8/20 0.50
▸ LPAR3 Q9UBY5 4/20 0.46
▸ SIRT2 Q8IXJ6 1/20 0.46
▸ LPAR1 Q92633 2/20 0.45
▸ EPHX2 P34913 1/20 0.44
▸ ESR1 P03372 1/20 0.44
▸ PGR P06401 1/20 0.44
▸ HTR1A P08908 1/20 0.44
▸ ADORA3 P0DMS8 1/20 0.44
▸ AR P10275 1/20 0.44
▸ CHRM1 P11229 1/20 0.44
▸ TBXA2R P21731 1/20 0.44
▸ PTGS1 P23219 1/20 0.44
▸ ADRA1A P35348 1/20 0.44
▸ KCNH2 Q12809 1/20 0.44
▸ ALB P02768 1/20 0.43

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
SCHEMBL15084766 0.89 NOD1 (0.63) NOD1TLR2GLP1RLPAR3EPHX2
SCHEMBL45887 0.86 GLP1R (0.57) NOD1TLR2GLP1RLPAR3SIRT2
SCHEMBL22386556 0.84 NAAA (0.61) NOD1TLR2GLP1REPHX2ALB
SCHEMBL45885 0.84 GLP1R (0.56) NOD1TLR2GLP1RLPAR3SIRT2
SCHEMBL16525843 0.84 GLP1R (0.56) NOD1TLR2GLP1RLPAR3SIRT2
SCHEMBL20029386 0.84 NOD1 (0.50) NOD1TLR2GLP1RLPAR3SIRT2
SCHEMBL28960756 0.83 NOD1 (0.61) NOD1TLR2GLP1R
SCHEMBL28960755 0.83 NOD1 (0.61) NOD1TLR2GLP1R
SCHEMBL26973001 0.83 TLR2 (0.51) NOD1TLR2GLP1RLPAR3SIRT2
SCHEMBL23191719 0.83 CASP2 (0.62) EPHX2

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-20200360488-A1 PTH COMPOUNDS WITH LOW PEAK-TO-TROUGH RATIOS ASCENDIS PHARMA BONE DISEASES A/S (DK) 2020-11-19 — — 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-20200360488-A1 PTH COMPOUNDS WITH LOW PEAK-TO-TROUGH RATIOS PTH1R, PTMS, FGF23 NOD1 3030/4885TLR2 3753/4885GLP1R 10/4885

“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.

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