Sugi Predict

Sugi Predict / Compounds / SCHEMBL497762

SCHEMBL497762

SCHEMBL497762

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRM2 Q14416 1/20 0.46
▸ GRM3 Q14832 1/20 0.46
▸ CYP1A2 P05177 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ THRB P10828 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ SLC7A5 Q01650 1/20 0.37
▸ ARG1 P05089 5/20 0.36
▸ ARG2 P78540 5/20 0.36
▸ ODC1 P11926 1/20 0.35
▸ CYP2D6 P10635 2/20 0.34
▸ CYP2C19 P33261 2/20 0.33
▸ CACNA2D1 P54289 2/20 0.32
▸ CACNB3 P54284 1/20 0.32
▸ CACNA1C Q13936 1/20 0.32
▸ PGR P06401 1/20 0.32
▸ ADRA1A P35348 1/20 0.32
▸ HTR2B P41595 1/20 0.32
▸ CACNA2D2 Q9NY47 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
SCHEMBL3100826 0.88 GRM2 (0.42) GRM2GRM3CYP1A2MEN1ALDH1A1
SCHEMBL3100821 0.88 GRM2 (0.42) GRM2GRM3CYP1A2MEN1ALDH1A1
SCHEMBL3383450 0.88 CYP1A2 (0.52) GRM2GRM3CYP1A2MEN1ALDH1A1
SCHEMBL563056 0.88 CYP1A2 (0.52) GRM2GRM3CYP1A2MEN1ALDH1A1
SCHEMBL16222761 0.86 GRM2 (0.41) GRM2GRM3CYP1A2MEN1ALDH1A1
SCHEMBL16222675 0.86 GRM2 (0.41) GRM2GRM3CYP1A2MEN1ALDH1A1
SCHEMBL17144085 0.86 ODC1 (0.48) GRM2GRM3CYP1A2MEN1ALDH1A1
SCHEMBL4902103 0.86 ALDH1A1 (0.41) GRM2GRM3CYP1A2MEN1ALDH1A1
SCHEMBL17143589 0.86 ODC1 (0.48) GRM2GRM3CYP1A2MEN1ALDH1A1
SCHEMBL17143586 0.86 ODC1 (0.48) GRM2GRM3CYP1A2MEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210115087-A1 CYCLIC PEPTIDE INHIBITORS OF HEDGEHOG PROTEINS UNIV ROCHESTER (US) 2021-04-22 — — 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-20190241615-A1 CYCLIC PEPTIDE INHIBITORS OF HEDGEHOG PROTEINS UNIVERSITY OF ROCHESTER 2019-08-08 — — US disclosed
EP-3475294-A1 CYCLIC PEPTIDE INHIBITORS OF HEDGEHOG PROTEINS The University of Rochester (US) 2019-05-01 — — EP disclosed
US-20180086784-A1 Phosphonate analogs of HIV inhibitor compounds GILEAD SCIENCES, INC. 2018-03-29 — — US disclosed
WO-2017223207-A1 CYCLIC PEPTIDE INHIBITORS OF HEDGEHOG PROTEINS UNIVERSITY OF ROCHESTER (US) 2017-12-28 — — WO 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
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
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-1995007919-A1 METHOD FOR DOSING THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. (US) 1995-03-23 — — WO 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 (7 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-20190241615-A1 CYCLIC PEPTIDE INHIBITORS OF HEDGEHOG PROTEINS SHH, SMO, DACH1 GRM2 2023/4885GRM3 1311/4885CYP1A2 4882/4885
US-20210115087-A1 CYCLIC PEPTIDE INHIBITORS OF HEDGEHOG PROTEINS SHH, SMO, DACH1 GRM2 2023/4885GRM3 1311/4885CYP1A2 4882/4885
US-20170088576-A1 ANTIVIRAL COMPOUNDS EIF2AK2, MAVS, ITPA GRM2 4276/4885GRM3 3426/4885CYP1A2 4700/4885
US-20190315785-A1 PHOSPHONATE ANALOGS OF HIV INHIBITOR COMPOUNDS PIK3CA, TYMP, ITPA GRM2 4562/4885GRM3 3907/4885CYP1A2 4641/4885
US-20190345190-A1 PHOSPHONATE ANALOGS OF HIV INHIBITOR COMPOUNDS PIK3CA, TYMP, ITPA GRM2 4562/4885GRM3 3907/4885CYP1A2 4641/4885
US-20180086784-A1 Phosphonate analogs of HIV inhibitor compounds PIK3CA, TYMP, ITPA GRM2 4562/4885GRM3 3907/4885CYP1A2 4641/4885
US-20170210770-A1 PHOSPHONATE ANALOGS OF HIV INHIBITOR COMPOUNDS PIK3CA, TYMP, ITPA GRM2 4562/4885GRM3 3907/4885CYP1A2 4641/4885

“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.