SCHEMBL498228

SCHEMBL498228

CC(N)(CCCCO)C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ARG2 P78540 8/20 0.62
ARG1 P05089 7/20 0.62
GGT1 P19440 1/20 0.52
CYP4F2 P78329 2/20 0.41
CYP4A11 Q02928 2/20 0.41
BLM P54132 2/20 0.37
FFAR1 O14842 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
CPT2 P23786 1/20 0.37
ACLY P53396 1/20 0.36
GPR84 Q9NQS5 1/20 0.36
FFAR4 Q5NUL3 1/20 0.36
ACACB O00763 1/20 0.35
ACACA Q13085 1/20 0.35
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
USP2 O75604 1/20 0.34
ALDH1A1 P00352 1/20 0.34
EGFR P00533 1/20 0.34
CYP1A2 P05177 1/20 0.34

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
SCHEMBL21498188 0.98 ARG2 (0.60) ARG2ARG1GGT1CYP4F2CYP4A11
SCHEMBL28396676 0.98 ARG2 (0.59) ARG2ARG1GGT1CYP4F2CYP4A11
SCHEMBL497669 0.98 ARG2 (0.59) ARG2ARG1GGT1CYP4F2CYP4A11
SCHEMBL28391632 0.98 ARG2 (0.59) ARG2ARG1GGT1CYP4F2CYP4A11
SCHEMBL8688802 0.91 ARG2 (0.72) ARG2ARG1GGT1BLMFFAR1
SCHEMBL13774924 0.83
SCHEMBL9615913 0.83
SCHEMBL574473 0.82 ARG1 (0.62) ARG2ARG1GGT1BLMFFAR1
SCHEMBL201390 0.82 ARG1 (0.62) ARG2ARG1GGT1BLMFFAR1
SCHEMBL22518917 0.82 ARG1 (0.62) ARG2ARG1GGT1TDP1GPR84

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 245 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190345190-A1 PHOSPHONATE ANALOGS OF HIV INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. 2019-11-14 US disclosed
US-10449208-B2 Antiviral prodrugs of tenofovir MERCK SHARP & DOHME CORP. (US) 2019-10-22 US disclosed
US-20190315785-A1 PHOSPHONATE ANALOGS OF HIV INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. 2019-10-17 US disclosed
US-20180086784-A1 Phosphonate analogs of HIV inhibitor compounds GILEAD SCIENCES, INC. 2018-03-29 US disclosed
US-20170210770-A1 PHOSPHONATE ANALOGS OF HIV INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. 2017-07-27 US disclosed
US-9629789-B2 Rosacea treatments using polymetal complexes OBAGI MEDICAL PRODUCTS, INC. (US) 2017-04-25 US disclosed
US-20170088576-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2017-03-30 US disclosed
US-9593138-B2 Nitrile-containing enzyme inhibitors and ruthenium complexes thereof WAYNE STATE UNIVERSITY (US) 2017-03-14 US disclosed
US-9579332-B2 Phosphonate analogs of HIV inhibitor compounds GILEAD SCIENCES, INC. (US) 2017-02-28 US disclosed
US-9556113-B2 Combination uses of dichloroacetate and oxamate, and their prodrugs, for cancer treatment THE SOUTH DAKOTA BOARD OF REGENTS (US) 2017-01-31 US disclosed
EP-0807118-A2 NOVEL COMPOUNDS AND METHODS FOR MAKING AND USING SAME GILEAD SCIENCES, INC. (US) 1997-11-19 EP disclosed
US-5659023-A HETEROCYCLIC FURANOSYL OR PYRANOSYL PHOSPHONATE; IMMUNOGENS, OLIGONUCLEOTIDES, ANTIINFECTIVES, ANTIINFLAMMATORY AGENTS GILEAD SCIENCES, INC. (US) 1997-08-19 US disclosed
US-5656745-A AMIDATE LINKAGE; ANTITUMOR, ANTICARCINOGENIC AGENTS GILEAD SCIENCES, INC. (US) 1997-08-12 US disclosed
EP-0759917-A1 NOVEL SELECTIVE INHIBITORS OF VIRAL OR BACTERIAL NEURAMINIDASES GILEAD SCIENCES, INC. (US) 1997-03-05 EP disclosed
US-5591851-A ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 1997-01-07 US disclosed
WO-1996026933-A9 NOVEL SELECTIVE INHIBITORS OF VIRAL OR BACTERIAL NEURAMINIDASES 1996-11-28 WO disclosed
WO-1996026933-A1 NOVEL SELECTIVE INHIBITORS OF VIRAL OR BACTERIAL NEURAMINIDASES GILEAD SCIENCES, INC. (US) 1996-09-06 WO disclosed
WO-1996023801-A2 NOVEL COMPOUNDS AND METHODS FOR MAKING AND USING SAME GILEAD SCIENCES, INC. (US) 1996-08-08 WO disclosed
EP-0719273-A1 NUCLEOTIDE ANALOGS GILEAD SCIENCES, INC. (US) 1996-07-03 EP disclosed
WO-1995007920-A1 NUCLEOTIDE ANALOGS GILEAD SCIENCES, INC. (US) 1995-03-23 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 (6 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-10449208-B2 Antiviral prodrugs of tenofovir PNP, TYMP, HPRT1 ARG2 2232/4885ARG1 1162/4885GGT1 1028/4885
US-20170088576-A1 ANTIVIRAL COMPOUNDS EIF2AK2, MAVS, ITPA ARG2 3454/4885ARG1 3649/4885GGT1 1391/4885
US-20190315785-A1 PHOSPHONATE ANALOGS OF HIV INHIBITOR COMPOUNDS PIK3CA, TYMP, ITPA ARG2 4411/4885ARG1 4390/4885GGT1 1221/4885
US-20190345190-A1 PHOSPHONATE ANALOGS OF HIV INHIBITOR COMPOUNDS PIK3CA, TYMP, ITPA ARG2 4411/4885ARG1 4390/4885GGT1 1221/4885
US-20180086784-A1 Phosphonate analogs of HIV inhibitor compounds PIK3CA, TYMP, ITPA ARG2 4411/4885ARG1 4390/4885GGT1 1221/4885
US-20170210770-A1 PHOSPHONATE ANALOGS OF HIV INHIBITOR COMPOUNDS PIK3CA, TYMP, ITPA ARG2 4411/4885ARG1 4390/4885GGT1 1221/4885

“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.