Sugi Predict

Sugi Predict / Compounds / SCHEMBL497331

SCHEMBL497331

SCHEMBL497331

N=C(N)NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCC(=O)O)C(=O)Nc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FKBP4 Q02790 1/20 0.43
▸ ITGB1 P05556 1/20 0.41
▸ ITGA4 P13612 1/20 0.41
▸ TACR1 P25103 1/20 0.40
▸ F2 P00734 1/20 0.39
▸ EPHA2 P29317 2/20 0.38
▸ OPRM1 P35372 5/20 0.38
▸ NPFFR1 Q9GZQ6 2/20 0.38
▸ NPFFR2 Q9Y5X5 2/20 0.38
▸ OPRD1 P41143 1/20 0.38
▸ OPRK1 P41145 2/20 0.37
▸ HDAC3 O15379 1/20 0.37
▸ HDAC1 Q13547 1/20 0.37
▸ HDAC2 Q92769 1/20 0.37
▸ HDAC10 Q969S8 1/20 0.37
▸ HDAC11 Q96DB2 1/20 0.37
▸ HDAC8 Q9BY41 1/20 0.37
▸ HDAC6 Q9UBN7 1/20 0.37
▸ MMP1 P03956 1/20 0.37
▸ MMP3 P08254 1/20 0.37

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
SCHEMBL7586649 0.90 OPRM1 (0.47) FKBP4TACR1F2OPRM1NPFFR1
SCHEMBL30561151 0.90 OPRM1 (0.47) FKBP4TACR1F2OPRM1NPFFR1
SCHEMBL29442961 0.88 OPRM1 (0.45) FKBP4TACR1F2OPRM1NPFFR1
SCHEMBL8502170 0.88 OPRM1 (0.42) FKBP4ITGB1ITGA4TACR1EPHA2
Hydrochloric Acid SCHEMBL29793967 0.87 OPRM1 (0.45) FKBP4TACR1F2OPRM1NPFFR1
SCHEMBL9158370 0.87 F2 (0.44) FKBP4ITGB1ITGA4TACR1F2
SCHEMBL11418081 0.87 NTMT1 (0.47) FKBP4ITGB1ITGA4TACR1F2
SCHEMBL6049428 0.86 NTSR2 (0.48) OPRM1NPFFR1NPFFR2OPRD1
SCHEMBL5874068 0.86 NTMT1 (0.44) FKBP4ITGB1ITGA4TACR1F2
SCHEMBL5835132 0.86 FKBP4 (0.41) FKBP4ITGB1ITGA4TACR1OPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250214931-A1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS Cadrenal Therapeutics, Inc. 2025-07-03 — — US disclosed
US-12152014-B2 Therapeutic compounds and compositions eXlthera Pharmaceuticals, Inc. (US) 2024-11-26 — — US disclosed
US-12084414-B2 Therapeutic compounds and compositions EXITHERA PHARMACEUTICALS, INC. (US) 2024-09-10 — — US disclosed
US-20240059670-A1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS Cadrenal Therapeutics, Inc. 2024-02-22 — — US disclosed
EP-4309653-A1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS Exithera Pharmaceuticals Inc. (US) 2024-01-24 — — EP disclosed
CN-116444506-A Therapeutic compounds and compositions 艾克赛特赫拉制药有限责任公司 2023-07-18 — — CN disclosed
US-11691962-B2 Therapeutic compounds and compositions EXITHERA PHARMACEUTICALS, INC. (US) 2023-07-04 — — US disclosed
EP-3102200-B1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS EXITHERA PHARMACEUTICALS INC (US) 2023-04-05 — — EP disclosed
CN-108892661-B Therapeutic compounds and compositions 艾克赛特赫拉制药有限责任公司 2023-03-14 — — CN disclosed
US-20220281813-A1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS EXITHERA PHARMACEUTICALS, INC. 2022-09-08 — — US disclosed
WO-2001036462-A2 PROTEIN C DERIVATIVES ELI LILLY AND COMPANY (US) 2001-05-25 — — WO disclosed
EP-1090130-A1 PROTEIN C DERIVATIVES ELI LILLY AND COMPANY (US) 2001-04-11 — — EP disclosed
WO-2000066754-A1 PROTEIN C DERIVATIVES ELI LILLY AND COMPANY (US) 2000-11-09 — — WO disclosed
US-5621074-A SERINE PROTEASE INHIBITOR; REDUCED NEPHROTOXICITY, STABILITY AND POSITIVE NET CHARGE NOVO NORDISK A/S (DK) 1997-04-15 — — US disclosed
US-5618915-A INCREASED INHIBITORY EFFECT AGAINST SERINE PROTEASE; REDUCED NEPHROTOXICITY, REDUCED POSITIVE NET CHARGE AND REDUCED STABILITY NOVO NORDISK (DK) 1997-04-08 — — US disclosed
US-5591603-A Process for preparing aprotinin and aprotinin analogs in yeast cells NOVO NORDISK A/S (DK) 1997-01-07 — — US disclosed
US-5373090-A Aprotinin analogues and a process for the production thereof NOVO NORDISK A/S (DK) 1994-12-13 — — US disclosed
EP-0339942-B1 Aprotinin analogues and process for the production thereof NOVO NORDISK AS (DK) 1994-03-23 — — EP disclosed
WO-1989010374-A1 APROTININ ANALOGUES AND A PROCESS FOR THE PRODUCTION THEREOF NOVO NORDISK A/S (DK) 1989-11-02 — — WO disclosed
EP-0339942-A2 Aprotinin analogues and process for the production thereof NOVO NORDISK A/S (DK) 1989-11-02 — — 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 (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-20240059670-A1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS KLK5, KLK2, KLKB1 FKBP4 2777/4885ITGB1 3130/4885ITGA4 2763/4885
US-12152014-B2 Therapeutic compounds and compositions KLK5, KLK2, KLKB1 FKBP4 2777/4885ITGB1 3130/4885ITGA4 2763/4885
US-11691962-B2 Therapeutic compounds and compositions KLK5, KLK2, KLKB1 FKBP4 2777/4885ITGB1 3130/4885ITGA4 2763/4885
US-12084414-B2 Therapeutic compounds and compositions KLK5, KLKB1, KLK2 FKBP4 2736/4885ITGB1 2825/4885ITGA4 2957/4885
US-20220281813-A1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS KLK5, KLKB1, KLK2 FKBP4 2736/4885ITGB1 2825/4885ITGA4 2957/4885
US-20250214931-A1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS KLK5, KLKB1, KLK2 FKBP4 2736/4885ITGB1 2825/4885ITGA4 2957/4885

“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.