SCHEMBL6624647

SCHEMBL6624647

CC(C)C[C@H](NC(=O)Oc1ccc([N+](=O)[O-])cc1)C(=O)OC(C)(C)C

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.59
ALDH1A1 P00352 6/20 0.59
SMN1; SMN2 Q16637 3/20 0.59
NPSR1 Q6W5P4 3/20 0.59
NPC1 O15118 2/20 0.59
RAB9A P51151 2/20 0.59
GAA P10253 3/20 0.56
PPARG P37231 1/20 0.48
PPARA Q07869 1/20 0.48
MGLL Q99685 2/20 0.46
TDP1 Q9NUW8 2/20 0.43
POLB P06746 1/20 0.43
HTR2A P28223 1/20 0.43
ITGA4 P13612 1/20 0.43
ITGB7 P26010 1/20 0.43
XBP1 P17861 1/20 0.43
RECQL P46063 1/20 0.43
BCL9 O00512 1/20 0.42
CTNNB1 P35222 1/20 0.42
MEN1 O00255 1/20 0.41

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
SCHEMBL20631080 1.00 MAPT (0.59) MAPTALDH1A1SMN1; SMN2NPSR1NPC1
SCHEMBL5434236 0.91 MAPT (0.66) MAPTALDH1A1SMN1; SMN2NPSR1NPC1
SCHEMBL1935058 0.91 MAPT (0.66) MAPTALDH1A1SMN1; SMN2NPSR1NPC1
SCHEMBL1935059 0.91 MAPT (0.66) MAPTALDH1A1SMN1; SMN2NPSR1NPC1
SCHEMBL13574956 0.88 MGLL (0.51) MAPTALDH1A1SMN1; SMN2NPSR1NPC1
SCHEMBL28252736 0.88 MAPT (0.49) MAPTALDH1A1SMN1; SMN2NPSR1NPC1
SCHEMBL28252735 0.88 MAPT (0.49) MAPTALDH1A1SMN1; SMN2NPSR1NPC1
SCHEMBL28776874 0.86 MAPT (0.48) MAPTALDH1A1SMN1; SMN2NPSR1NPC1
SCHEMBL19967916 0.86 MAPT (0.48) MAPTALDH1A1SMN1; SMN2NPSR1NPC1
SCHEMBL19969280 0.86 PPARG (0.48) MAPTALDH1A1SMN1; SMN2NPSR1NPC1

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3650464-B1 PEPTIDE COMPOUND AND APPLICATION THEREOF, AND COMPOSITION CONTAINING PEPTIDE COMPOUND SHANGPHARMA INNOVATION INC (US) 2025-11-05 EP disclosed
CN-116813705-A Peptide compound, application thereof and composition containing peptide compound 凯惠科技发展(上海)有限公司 2023-09-29 CN disclosed
CN-109206481-B Peptide compound, application thereof and composition containing peptide compound 尚华医药科技(江西)有限公司 2023-08-18 CN disclosed
US-11427615-B2 Peptide compound and application thereof, and composition containing peptide compound XDCEXPLORER (SHANGHAI) CO., LTD. (CN) 2022-08-30 US disclosed
US-20200172575-A1 PEPTIDE COMPOUND AND APPLICATION THEREOF, AND COMPOSITION CONTAINING PEPTIDE COMPOUND XDCEXPLORER (SHANGHAI) CO., LTD. (CN) 2020-06-04 US disclosed
US-20200172575-A1 PEPTIDE COMPOUND AND APPLICATION THEREOF, AND COMPOSITION CONTAINING PEPTIDE COMPOUND XDCEXPLORER (SHANGHAI) CO., LTD. (CN) 2020-06-04 US disclosed
EP-3650464-A1 PEPTIDE COMPOUND AND APPLICATION THEREOF, AND COMPOSITION CONTAINING PEPTIDE COMPOUND XDCExplorer (Shanghai) Co., Ltd. (CN) 2020-05-13 EP disclosed
WO-2018047143-A1 VISTA SIGNALING PATHWAY INHIBITORY COMPOUNDS USEFUL AS IMMUNOMODULATORS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2018-03-15 WO disclosed
EP-1067894-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2004-09-08 EP disclosed
US-6518267-B1 Protease inhibitors SMITHKLINE BEECHAM CORPORATION 2003-02-11 US disclosed
EP-1067894-A2 PROTEASE INHIBITORS SmithKline Beecham Corporation (US) 2001-01-17 EP disclosed
WO-1999059526-A2 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1999-11-25 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 (2 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-11427615-B2 Peptide compound and application thereof, and composition containing peptide compound KISS1R, VIP, NPY1R MAPT 333/4885ALDH1A1 4326/4885SMN1; SMN2 3197/4885
US-20200172575-A1 PEPTIDE COMPOUND AND APPLICATION THEREOF, AND COMPOSITION CONTAINING PEPTIDE COMPOUND KISS1R, VIP, NPY1R MAPT 333/4885ALDH1A1 4326/4885SMN1; SMN2 3197/4885

“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.