SCHEMBL6063753

SCHEMBL6063753

C=CC[C@H]1C(=O)O[C@H](c2ccccc2)[C@H](c2ccccc2)N1C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ELANE P08246 3/20 0.36
F2 P00734 2/20 0.36
CTSG P08311 1/20 0.36
ALDH1A1 P00352 1/20 0.34
TSHR P16473 1/20 0.34
GAA P10253 1/20 0.33
MDM2 Q00987 1/20 0.31
CES2 O00748 1/20 0.30
RIPK1 Q13546 1/20 0.30
ATM Q13315 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
HTT P42858 1/20 0.30

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
SCHEMBL6063582 1.00 ELANE (0.36) ELANEF2CTSGALDH1A1TSHR
SCHEMBL6063849 0.84 ABCB1 (0.44) ELANEF2CTSGRIPK1
SCHEMBL6161927 0.84 GSTP1 (0.38) ALDH1A1MDM2
SCHEMBL6161924 0.84 GSTP1 (0.38) ALDH1A1MDM2
SCHEMBL6918361 0.81 ELANE (0.35) ELANEALDH1A1TSHRGAAATM
SCHEMBL22636048 0.81 ELANE (0.35) ELANEALDH1A1TSHRGAAATM
SCHEMBL7063555 0.76 MAPT (0.32) ELANEALDH1A1MDM2ATMSMN1; SMN2
SCHEMBL6835149 0.76 LMNA (0.34) MDM2SMN1; SMN2NPSR1
SCHEMBL28496124 0.75 LIPG (0.33) MDM2
SCHEMBL1728341 0.75 RIPK1 (0.34) ELANEF2CTSGALDH1A1TSHR

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-7008957-B2 Bicyclic cyanoheterocycles, process for their preparation and their use as medicaments SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2006-03-07 US disclosed
US-20050059716-A1 Novel bicyclic cyanoheterocycles, process for their preparation and their use as medicaments AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2005-03-17 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-20050059716-A1 Novel bicyclic cyanoheterocycles, process for their preparation and their use as medicaments CYP11B2, GOT2, CYP11B1 ELANE 3948/4885F2 873/4885CTSG 2478/4885

“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.