SCHEMBL20168671

SCHEMBL20168671

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.48
CYP4A11 Q02928 1/20 0.48
PDCD1 Q15116 1/20 0.43
CD274 Q9NZQ7 1/20 0.43
CA12 O43570 3/20 0.43
CA1 P00915 3/20 0.43
CA2 P00918 3/20 0.43
CA7 P43166 3/20 0.43
CA9 Q16790 3/20 0.43
CA14 Q9ULX7 3/20 0.43
PTPN1 P18031 3/20 0.40
NPC1 O15118 4/20 0.39
RAB9A P51151 4/20 0.39
ALDH1A1 P00352 4/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
LMNA P02545 3/20 0.39
HTT P42858 1/20 0.39
THRA P10827 1/20 0.37
THRB P10828 1/20 0.37
HPGD P15428 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
SCHEMBL20168723 0.92 PTPN1 (0.44) CYP4F2CYP4A11PDCD1CD274CA12
SCHEMBL20179180 0.88 CYP4F2 (0.46) CYP4F2CYP4A11PDCD1CD274CA12
SCHEMBL20168700 0.86 PTPRB (0.46) CYP4F2CYP4A11CA12CA1CA2
SCHEMBL20168667 0.81 ALDH1A1 (0.45) PTPN1ALDH1A1SMN1; SMN2LMNAHTT
SCHEMBL21570565 0.75 PTPRB (0.55) CYP4F2CYP4A11CA1CA2PTPN1
SCHEMBL20168303 0.73 CYP4F2 (0.49) CYP4F2CYP4A11PDCD1CD274CA12
SCHEMBL21570572 0.72 LOXL2 (0.50) CYP4F2CYP4A11RAB9AALDH1A1SMN1; SMN2
SCHEMBL7855752 0.70 CYP4F2 (0.67) CYP4F2CYP4A11PDCD1CD274CA12
SCHEMBL13236273 0.70 CYP4F2 (0.71) CYP4F2CYP4A11PDCD1CD274CA12
SCHEMBL20179182 0.69 CYP4F2 (0.47) CYP4F2CYP4A11PDCD1CD274CA12

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 CYP4F2 1553/4885CYP4A11 3343/4885PDCD1 4395/4885
US-20210355079-A1 PRODRUGS OF HYDROXAMATE-BASED GCPII INHIBITORS TPI1, HPGDS, GPI CYP4F2 1219/4885CYP4A11 2515/4885PDCD1 4037/4885
US-11059775-B2 Prodrug compositions and utility of hydroxamate-based GCPII inhibitors GLS, HPGDS, GPI CYP4F2 1351/4885CYP4A11 2838/4885PDCD1 4436/4885
US-11866394-B2 Prodrugs of hydroxamate-based GCPII inhibitors TPI1, HPGDS, GPI CYP4F2 1219/4885CYP4A11 2515/4885PDCD1 4037/4885

“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.