SCHEMBL20168700

SCHEMBL20168700

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

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTPRB P23467 1/20 0.46
LOXL2 Q9Y4K0 1/20 0.45
PTPN1 P18031 1/20 0.42
CYP4A11 Q02928 2/20 0.42
CYP4F2 P78329 1/20 0.41
RAB9A P51151 2/20 0.40
TSHR P16473 1/20 0.40
CA1 P00915 4/20 0.40
CA2 P00918 4/20 0.40
NPC1 O15118 1/20 0.40
MAPT P10636 2/20 0.40
ALDH1A1 P00352 1/20 0.40
THRA P10827 1/20 0.39
THRB P10828 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CA12 O43570 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39

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
SCHEMBL21570565 0.89 PTPRB (0.55) PTPRBLOXL2PTPN1CYP4A11CYP4F2
SCHEMBL20168671 0.86 CYP4F2 (0.48) PTPRBPTPN1CYP4A11CYP4F2RAB9A
SCHEMBL21570572 0.85 LOXL2 (0.50) PTPRBLOXL2CYP4A11CYP4F2RAB9A
SCHEMBL20168667 0.84 ALDH1A1 (0.45) PTPRBPTPN1TSHRMAPTALDH1A1
SCHEMBL20168723 0.83 PTPN1 (0.44) PTPRBPTPN1CYP4A11CYP4F2RAB9A
SCHEMBL20168788 0.81 LOXL2 (0.43) PTPRBLOXL2CYP4A11CYP4F2CA1
SCHEMBL20179180 0.79 CYP4F2 (0.46) PTPRBPTPN1CYP4A11CYP4F2RAB9A
SCHEMBL3485100 0.76 CYP4A11 (0.47) PTPRBLOXL2PTPN1CYP4A11CYP4F2
SCHEMBL9133768 0.76 CYP4A11 (0.60) LOXL2CYP4A11CYP4F2RAB9ATSHR
SCHEMBL3633353 0.75 CYP4A11 (0.58) LOXL2CYP4A11CYP4F2RAB9ATSHR

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 5 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-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
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 PTPRB 2860/4885LOXL2 1675/4885PTPN1 2645/4885
US-20210355079-A1 PRODRUGS OF HYDROXAMATE-BASED GCPII INHIBITORS TPI1, HPGDS, GPI PTPRB 2479/4885LOXL2 1853/4885PTPN1 2594/4885
US-11059775-B2 Prodrug compositions and utility of hydroxamate-based GCPII inhibitors GLS, HPGDS, GPI PTPRB 2894/4885LOXL2 1774/4885PTPN1 2389/4885
US-11866394-B2 Prodrugs of hydroxamate-based GCPII inhibitors TPI1, HPGDS, GPI PTPRB 2479/4885LOXL2 1853/4885PTPN1 2594/4885

“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.