SCHEMBL3091667

SCHEMBL3091667

CCSC(=O)OC(=O)C(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.37
ELANE P08246 4/20 0.34
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
PRKCA P17252 1/20 0.31
KDM4E B2RXH2 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL7878838 0.83 ALDH1A1 (0.34) ALDH1A1
SCHEMBL1507155 0.77 PRKCA (0.35) ALDH1A1PRKCA
SCHEMBL1507276 0.74 PRKCA (0.37) ALDH1A1PRKCA
SCHEMBL5694626 0.73 ALDH1A1 (0.42) ALDH1A1TSHRMAPK1KDM4ESMN1; SMN2
SCHEMBL638234 0.71 PRKCA (0.35) PRKCA
SCHEMBL65267 0.71 ELANE (0.40) ALDH1A1ELANETSHRPRKCA
SCHEMBL779254 0.70 ALDH1A1 (0.38) ALDH1A1ELANEPRKCASMN1; SMN2
SCHEMBL7989586 0.70 ELANE (0.34) ALDH1A1ELANEPRKCA
Ammonia Solution, Strong SCHEMBL25421893 0.68 ELANE (0.39) ALDH1A1ELANETSHRPRKCA
SCHEMBL7026388 0.68 ELANE (0.39) ALDH1A1ELANETSHRPRKCA

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-20100249076-A1 PRODRUGS OF 9-AMINOMETHYL TETRACYCLINE COMPOUNDS PARATEK PHARMACEUTICALS, INC. (US) 2010-09-30 US disclosed
US-20060287283-A1 Prodrugs of 9-aminomethyl tetracycline compounds PARATEK PHARMACEUTICALS, INC. (US) 2006-12-21 US disclosed
US-20050137174-A1 Prodrugs of 9-aminomethyl tetracycline compounds PARATEK PHARMACEUTICALS, INC. (US) 2005-06-23 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 (3 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-20100249076-A1 PRODRUGS OF 9-AMINOMETHYL TETRACYCLINE COMPOUNDS TET3, TET1, TPMT ALDH1A1 3508/4885ELANE 3004/4885TSHR 2696/4885
US-20050137174-A1 Prodrugs of 9-aminomethyl tetracycline compounds TET3, TET1, TPMT ALDH1A1 3508/4885ELANE 3004/4885TSHR 2696/4885
US-20060287283-A1 Prodrugs of 9-aminomethyl tetracycline compounds TET3, TET1, TPMT ALDH1A1 3508/4885ELANE 3004/4885TSHR 2696/4885

“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.