SCHEMBL20179174

SCHEMBL20179174

C=CCCCCc1ccc(C(=O)OCc2ccc(OC(=O)C(C)C)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 2/20 0.45
THRB P10828 5/20 0.44
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
MAPT P10636 3/20 0.40
NPC1 O15118 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
RAB9A P51151 1/20 0.40
CYP4F2 P78329 1/20 0.39
CYP4A11 Q02928 1/20 0.39
ALDH1A1 P00352 4/20 0.38
KDM4E B2RXH2 3/20 0.38
GAA P10253 2/20 0.38
HPGD P15428 2/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
THRA P10827 3/20 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
SCHEMBL21578021 0.83 ELANE (0.44) ELANEKMT2AMEN1MAPTNPC1
SCHEMBL20168293 0.81 PPARG (0.43) ELANEKMT2AMEN1MAPTALDH1A1
SCHEMBL21578024 0.79 ELANE (0.42) ELANEKMT2AMEN1MAPTNPC1
SCHEMBL8911968 0.78 THRB (0.60) THRBKMT2AMEN1MAPTSMN1; SMN2
SCHEMBL8913231 0.78 THRB (0.57) THRBKMT2AMEN1MAPTNPC1
SCHEMBL9304788 0.78 MAPT (0.52) THRBKMT2AMAPTNPC1SMN1; SMN2
SCHEMBL21577926 0.78 THRB (0.50) THRBKMT2AMEN1SMN1; SMN2CYP4F2
SCHEMBL11197892 0.76 ELANE (0.47) ELANETHRBTHRA
SCHEMBL8972095 0.76 THRB (0.46) THRBKMT2AMEN1MAPTSMN1; SMN2
SCHEMBL10799184 0.76 THRB (0.64) THRBKMT2AMEN1MAPTSMN1; SMN2

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
WO-2018094334-A1 PRODRUGS OF HYDROXAMATE-BASED GCPII INHIBITORS THE JOHNS HOPKINS UNIVERSITY (US) 2018-05-24 WO 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-20210355079-A1 PRODRUGS OF HYDROXAMATE-BASED GCPII INHIBITORS TPI1, HPGDS, GPI ELANE 1159/4885THRB 1412/4885KMT2A 1663/4885

“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.