SCHEMBL17695752

SCHEMBL17695752

CCCCOc1cc(C[C@H](NC(=O)OCc2ccccc2)C(=O)OC)ccc1OP(=O)(OCc1ccccc1)OCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
GAA P10253 1/20 0.47
RAB9A P51151 1/20 0.47
KYNU Q16719 1/20 0.46
ITGB3 P05106 6/20 0.45
ITGA2B P08514 6/20 0.45
ALDH1A1 P00352 1/20 0.45
ALOX15 P16050 1/20 0.45
F2 P00734 1/20 0.44
CTSL P07711 1/20 0.44
CTSS P25774 1/20 0.44
CTSK P43235 1/20 0.44
SIRT2 Q8IXJ6 1/20 0.44
SIRT1 Q96EB6 1/20 0.44
SIRT3 Q9NTG7 1/20 0.44
TACR1 P25103 1/20 0.44
CNR1 P21554 1/20 0.44
SMN1; SMN2 Q16637 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
SCHEMBL17685866 0.92 KYNU (0.50) MEN1KMT2AGAARAB9AKYNU
SCHEMBL17685865 0.92 KYNU (0.50) MEN1KMT2AGAARAB9AKYNU
SCHEMBL19509033 0.90 MEN1 (0.57) CNR2MEN1KMT2AITGB3ITGA2B
SCHEMBL29653507 0.86 TACR1 (0.49) MEN1KMT2AITGB3ITGA2BF2
SCHEMBL17693627 0.85 KYNU (0.51) MEN1KMT2AGAARAB9AKYNU
SCHEMBL17695789 0.85 MEN1 (0.46) CNR2MEN1KMT2AKYNUITGB3
SCHEMBL17695787 0.85 MEN1 (0.46) CNR2MEN1KMT2AKYNUITGB3
SCHEMBL23069604 0.84 ITGB3 (0.50) MEN1KMT2AITGB3ITGA2BCTSL
SCHEMBL17685870 0.84 ITGB3 (0.50) MEN1KMT2AITGB3ITGA2BCTSL
SCHEMBL29664049 0.84 ITGB3 (0.50) MEN1KMT2AITGB3ITGA2BCTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160362431-A1 Carbidopa And L-Dopa Prodrugs And Methods Of Use ABBVIE INC. 2016-12-15 US disclosed
US-9446059-B2 Carbidopa and L-dopa prodrugs and methods of use ABBVIE INC. (US) 2016-09-20 US disclosed
US-20160106765-A1 Carbidopa and L-Dopa Prodrugs and Methods of Use ABBVIE INC. 2016-04-21 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-20160362431-A1 Carbidopa And L-Dopa Prodrugs And Methods Of Use COMT, SNCA, PARK7 CNR2 595/4885MEN1 3630/4885KMT2A 1764/4885
US-20160106765-A1 Carbidopa and L-Dopa Prodrugs and Methods of Use COMT, SNCA, PARK7 CNR2 595/4885MEN1 3630/4885KMT2A 1764/4885

“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.