SCHEMBL21578024

SCHEMBL21578024

CC(C)C(=O)Oc1ccc(CONC(=O)CCCCc2ccc(C(=O)OCc3ccc(OC(=O)C(C)C)cc3)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 2/20 0.42
KMT2A Q03164 6/20 0.40
MEN1 O00255 3/20 0.40
ITGB3 P05106 1/20 0.40
ITGA2B P08514 1/20 0.40
HDAC3 O15379 1/20 0.39
NCOR2 Q9Y618 1/20 0.39
CYP4F2 P78329 1/20 0.39
CYP4A11 Q02928 1/20 0.39
ALDH1A1 P00352 3/20 0.39
GAA P10253 2/20 0.39
KDM4E B2RXH2 2/20 0.39
NPC1 O15118 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MAPT P10636 2/20 0.38
CYP2C9 P11712 1/20 0.38

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
SCHEMBL20179203 0.85 KMT2A (0.47) KMT2AMEN1CYP4F2CYP4A11ALDH1A1
SCHEMBL21577907 0.84 ELANE (0.41) ELANEKMT2AMEN1ALDH1A1GAA
SCHEMBL20179200 0.82 FOLH1 (0.51) ELANEKMT2AMEN1GAAKDM4E
SCHEMBL21577941 0.80 PRSS1 (0.39) ELANEKMT2AMEN1ALDH1A1GAA
SCHEMBL24023319 0.80 RXRA (0.41) ELANEKMT2AMEN1ITGB3ITGA2B
SCHEMBL26427131 0.80 HPGD (0.48) KMT2AITGB3ITGA2BHDAC3NCOR2
SCHEMBL20179174 0.79 ELANE (0.45) ELANEKMT2AMEN1CYP4F2CYP4A11
SCHEMBL20179228 0.77 FOLH1 (0.39) ELANEKMT2AMEN1ALDH1A1GAA
SCHEMBL20168590 0.77 FOLH1 (0.40) ELANEKMT2AMEN1ALDH1A1GAA
SCHEMBL20179365 0.74 FOLH1 (0.38) ELANEKMT2AMEN1ALDH1A1GAA

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-20210355079-A1 PRODRUGS OF HYDROXAMATE-BASED GCPII INHIBITORS INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY AS CR V.V.I. (CZ) 2021-11-18 US disclosed
US-20190352255-A1 NOVEL PRODRUG COMPOSITIONS AND UTILITY OF HYDROXAMATE-BASED GCPII INHIBITORS THE JOHNS HOPKINS UNIVERSITY 2019-11-21 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-20190352255-A1 NOVEL PRODRUG COMPOSITIONS AND UTILITY OF HYDROXAMATE-BASED GCPII INHIBITORS GPI, TPI1, HPGDS ELANE 919/4885KMT2A 2206/4885MEN1 2945/4885
US-20210355079-A1 PRODRUGS OF HYDROXAMATE-BASED GCPII INHIBITORS TPI1, HPGDS, GPI ELANE 1159/4885KMT2A 1663/4885MEN1 2946/4885

“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.