SCHEMBL497756

SCHEMBL497756

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.43
CYP2D6 P10635 1/20 0.43
ARG1 P05089 3/20 0.42
ARG2 P78540 3/20 0.42
ALDH1A1 P00352 3/20 0.35
TP53 P04637 1/20 0.35
TSHR P16473 1/20 0.35
SLC7A5 Q01650 1/20 0.35
ODC1 P11926 1/20 0.33
NOS3 P29474 1/20 0.32
NOS1 P29475 1/20 0.32
NOS2 P35228 1/20 0.32
GRM2 Q14416 1/20 0.32
GRM3 Q14832 1/20 0.32
MAPT P10636 2/20 0.32
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
RAB9A P51151 1/20 0.32
BLM P54132 1/20 0.32
PMP22 Q01453 1/20 0.32

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
Hydrochloric Acid SCHEMBL28506784 0.84 CYP1A2 (0.42) CYP1A2CYP2D6ARG1ARG2TP53
SCHEMBL2297300 0.80 ARG1 (0.39) CYP1A2CYP2D6ARG1ARG2ALDH1A1
SCHEMBL2300127 0.80 ARG1 (0.39) CYP1A2CYP2D6ARG1ARG2ALDH1A1
SCHEMBL22009188 0.79 CYP1A2 (0.41) CYP1A2CYP2D6ARG1ARG2ALDH1A1
SCHEMBL22009126 0.79 CYP1A2 (0.41) CYP1A2CYP2D6ARG1ARG2ALDH1A1
SCHEMBL8168353 0.79 CYP1A2 (0.41) CYP1A2CYP2D6ARG1ARG2ALDH1A1
SCHEMBL1237678 0.75
SCHEMBL5633427 0.75 ARG1 (0.33) CYP1A2CYP2D6ARG1ARG2ALDH1A1
SCHEMBL3059067 0.75
SCHEMBL7613000 0.75 CYP1A2 (0.43) CYP1A2CYP2D6ARG1ARG2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102378580-B Dipeptide as feedstuff additive EVONIK DEGUSSA GMBH 2014-06-11 CN claimed
US-5543414-A VIRICIDES SYNTEX (USA) INC. (US) 1996-08-06 US claimed
US-20190345190-A1 PHOSPHONATE ANALOGS OF HIV INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. 2019-11-14 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
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
US-5543414-A VIRICIDES SYNTEX (USA) INC. (US) 1996-08-06 US disclosed
EP-0719274-A1 METHOD FOR DOSING THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. (US) 1996-07-03 EP 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
WO-1995007919-A1 METHOD FOR DOSING THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. (US) 1995-03-23 WO disclosed
EP-0534774-A1 5,5-Dialkyl hydantoins for promoted acid gas scrubbing processes EXXON CHEMICAL PATENTS INC. (US) 1993-03-31 EP 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 (5 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-20170088576-A1 ANTIVIRAL COMPOUNDS EIF2AK2, MAVS, ITPA CYP1A2 4700/4885CYP2D6 3806/4885ARG1 3649/4885
US-20190315785-A1 PHOSPHONATE ANALOGS OF HIV INHIBITOR COMPOUNDS PIK3CA, TYMP, ITPA CYP1A2 4641/4885CYP2D6 4028/4885ARG1 4390/4885
US-20190345190-A1 PHOSPHONATE ANALOGS OF HIV INHIBITOR COMPOUNDS PIK3CA, TYMP, ITPA CYP1A2 4641/4885CYP2D6 4028/4885ARG1 4390/4885
US-20180086784-A1 Phosphonate analogs of HIV inhibitor compounds PIK3CA, TYMP, ITPA CYP1A2 4641/4885CYP2D6 4028/4885ARG1 4390/4885
US-20170210770-A1 PHOSPHONATE ANALOGS OF HIV INHIBITOR COMPOUNDS PIK3CA, TYMP, ITPA CYP1A2 4641/4885CYP2D6 4028/4885ARG1 4390/4885

“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.