SCHEMBL20168667

SCHEMBL20168667

C=CCCC(Cc1ccc(C(=O)O)cc1)(C(=O)O)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
THRB P10828 2/20 0.41
THRA P10827 1/20 0.41
PTPRB P23467 1/20 0.39
TP53 P04637 1/20 0.38
TSHR P16473 1/20 0.38
PTPN1 P18031 2/20 0.36
KMT2A Q03164 3/20 0.36
SRD5A2 P31213 2/20 0.36
CSNK2A2 P19784 1/20 0.35
CSNK2A1 P68400 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
USP2 O75604 1/20 0.35
POLB P06746 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
NR4A1 P22736 1/20 0.35
APEX1 P27695 1/20 0.35

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
SCHEMBL20168700 0.84 PTPRB (0.46) ALDH1A1THRBTHRAPTPRBTSHR
SCHEMBL14508894 0.82 FOLH1 (0.46) ALDH1A1KMT2AKDM4EHIF1A
SCHEMBL20168671 0.81 CYP4F2 (0.48) ALDH1A1L3MBTL1THRBTHRAPTPRB
SCHEMBL20179184 0.78 KMO (0.44)
SCHEMBL14508880 0.76 TP53 (0.39) ALDH1A1L3MBTL1TP53SRD5A2MAPT
SCHEMBL3102413 0.74 ALDH1A1 (0.54) ALDH1A1L3MBTL1THRBTHRATP53
SCHEMBL15565360 0.73 ABCC4 (0.39) ALDH1A1TSHRMAPTLMNA
SCHEMBL21570565 0.73 PTPRB (0.55) ALDH1A1THRBTHRAPTPRBPTPN1
SCHEMBL21570572 0.72 LOXL2 (0.50) ALDH1A1PTPRBTSHRKDM4EMAPT
SCHEMBL21439980 0.72 ALDH1A1 (0.46) ALDH1A1L3MBTL1THRBTHRAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11866394-B2 Prodrugs of hydroxamate-based GCPII inhibitors THE JOHNS HOPKINS UNIVERSTY (US) 2024-01-09 US disclosed
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-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-11059775-B2 Prodrug compositions and utility of hydroxamate-based GCPII inhibitors THE JOHNS HOPKINS UNIVERSITY (US) 2021-07-13 US disclosed
US-11059775-B2 Prodrug compositions and utility of hydroxamate-based GCPII inhibitors THE JOHNS HOPKINS UNIVERSITY (US) 2021-07-13 US disclosed
US-20190352255-A1 NOVEL PRODRUG COMPOSITIONS AND UTILITY OF HYDROXAMATE-BASED GCPII INHIBITORS THE JOHNS HOPKINS UNIVERSITY 2019-11-21 US disclosed
US-20190352255-A1 NOVEL PRODRUG COMPOSITIONS AND UTILITY OF HYDROXAMATE-BASED GCPII INHIBITORS THE JOHNS HOPKINS UNIVERSITY 2019-11-21 US disclosed
WO-2018094334-A1 PRODRUGS OF HYDROXAMATE-BASED GCPII INHIBITORS THE JOHNS HOPKINS UNIVERSITY (US) 2018-05-24 WO 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 (4 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 ALDH1A1 1963/4885L3MBTL1 2834/4885THRB 1656/4885
US-20210355079-A1 PRODRUGS OF HYDROXAMATE-BASED GCPII INHIBITORS TPI1, HPGDS, GPI ALDH1A1 1717/4885L3MBTL1 2027/4885THRB 1412/4885
US-11059775-B2 Prodrug compositions and utility of hydroxamate-based GCPII inhibitors GLS, HPGDS, GPI ALDH1A1 1758/4885L3MBTL1 3058/4885THRB 1266/4885
US-11866394-B2 Prodrugs of hydroxamate-based GCPII inhibitors TPI1, HPGDS, GPI ALDH1A1 1717/4885L3MBTL1 2027/4885THRB 1412/4885

“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.