Sugi Predict

Sugi Predict / Compounds / SCHEMBL497269

SCHEMBL497269

SCHEMBL497269

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GGT1 P19440 1/20 0.43
▸ NOS2 P35228 4/20 0.40
▸ NOS1 P29475 2/20 0.40
▸ CYP1A2 P05177 3/20 0.39
▸ CYP3A4 P08684 2/20 0.39
▸ ARG1 P05089 2/20 0.39
▸ ARG2 P78540 2/20 0.39
▸ HIF1A Q16665 2/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ BLM P54132 2/20 0.38
▸ GRM2 Q14416 2/20 0.37
▸ ALDH1A1 P00352 2/20 0.35
▸ GRM3 Q14832 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ USP2 O75604 1/20 0.35
▸ EGFR P00533 1/20 0.35
▸ FYN P06241 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ GAA P10253 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
SCHEMBL8724779 0.83 GGT1 (0.45) GGT1NOS2NOS1CYP1A2CYP3A4
SCHEMBL181332 0.83 GGT1 (0.45) GGT1NOS2NOS1CYP1A2CYP3A4
SCHEMBL160650 0.83 GGT1 (0.45) GGT1NOS2NOS1CYP1A2CYP3A4
SCHEMBL160649 0.83 GGT1 (0.45) GGT1NOS2NOS1CYP1A2CYP3A4
Hydrochloric Acid SCHEMBL1025465 0.81 GGT1 (0.43) GGT1NOS2NOS1CYP1A2CYP3A4
Hydrochloric Acid SCHEMBL8995745 0.81 GGT1 (0.43) GGT1NOS2NOS1CYP1A2CYP3A4
Hydrochloric Acid SCHEMBL5764217 0.81 GGT1 (0.43) GGT1NOS2NOS1CYP1A2CYP3A4
Hydrochloric Acid SCHEMBL8995749 0.81 GGT1 (0.43) GGT1NOS2NOS1CYP1A2CYP3A4
SCHEMBL10443300 0.79 GABRR1 (0.43) GGT1NOS2NOS1CYP1A2CYP3A4
SCHEMBL1300782 0.79 GABRR1 (0.43) GGT1NOS2NOS1CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230158179-A1 RADIOPHARMACEUTICAL CONJUGATE COMPOSITIONS AND USES THEREOF RAYZEBIO, INC. 2023-05-25 — — US disclosed
US-20230158179-A1 RADIOPHARMACEUTICAL CONJUGATE COMPOSITIONS AND USES THEREOF RAYZEBIO, INC. 2023-05-25 — — US disclosed
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-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-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

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-20170088576-A1 ANTIVIRAL COMPOUNDS EIF2AK2, MAVS, ITPA GGT1 1391/4885NOS2 3869/4885NOS1 3959/4885
US-20190315785-A1 PHOSPHONATE ANALOGS OF HIV INHIBITOR COMPOUNDS PIK3CA, TYMP, ITPA GGT1 1221/4885NOS2 4371/4885NOS1 4071/4885
US-20190345190-A1 PHOSPHONATE ANALOGS OF HIV INHIBITOR COMPOUNDS PIK3CA, TYMP, ITPA GGT1 1221/4885NOS2 4371/4885NOS1 4071/4885
US-20180086784-A1 Phosphonate analogs of HIV inhibitor compounds PIK3CA, TYMP, ITPA GGT1 1221/4885NOS2 4371/4885NOS1 4071/4885
US-20230158179-A1 RADIOPHARMACEUTICAL CONJUGATE COMPOSITIONS AND USES THEREOF PAICS, LNPEP, DNPEP GGT1 218/4885NOS2 4269/4885NOS1 4365/4885
US-20170210770-A1 PHOSPHONATE ANALOGS OF HIV INHIBITOR COMPOUNDS PIK3CA, TYMP, ITPA GGT1 1221/4885NOS2 4371/4885NOS1 4071/4885

“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.