SCHEMBL4372161

SCHEMBL4372161

O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@H](CO)Cc1ccccc1)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 6/20 0.61
CTSS P25774 3/20 0.61
CTSK P43235 3/20 0.61
MAPK1 P28482 2/20 0.61
CYP3A4 P08684 1/20 0.61
ROCK2 O75116 1/20 0.59
RPS6KA5 O75582 1/20 0.59
RPS6KA4 O75676 1/20 0.59
PRKACA P17612 1/20 0.59
GSK3A P49840 1/20 0.59
GSK3B P49841 1/20 0.59
IRAK1 P51617 1/20 0.59
PRKX P51817 1/20 0.59
ROCK1 Q13464 1/20 0.59
PRKG1 Q13976 1/20 0.59
PKN2 Q16513 1/20 0.59
CLK4 Q9HAZ1 1/20 0.59
SGK2 Q9HBY8 1/20 0.59
CTRB1 P17538 1/20 0.58
PSMB5 P28074 2/20 0.58

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
SCHEMBL4364556 0.94 CTSL (0.63) CTSLCTSSCTSKMAPK1CYP3A4
SCHEMBL24368194 0.92 NPC1 (0.62) CTSLCTSSCTSKMAPK1CYP3A4
SCHEMBL13669585 0.92 NPC1 (0.54) CTSLCTSSCTSKMAPK1CYP3A4
SCHEMBL24368211 0.92 NPC1 (0.62) CTSLCTSSCTSKMAPK1CYP3A4
SCHEMBL4367288 0.92 CTSL (0.58) CTSLCTSSCTSKMAPK1CYP3A4
SCHEMBL4361619 0.91 CTSL (0.56) CTSLCTSSCTSKMAPK1CYP3A4
SCHEMBL27679119 0.91 CTSL (0.56) CTSLCTSSCTSKMAPK1CYP3A4
SCHEMBL24368193 0.91 NPC1 (0.60) CTSLCTSSCTSKMAPK1CYP3A4
SCHEMBL4360827 0.91 MAPK1 (0.58) CTSLCTSSCTSKMAPK1CYP3A4
SCHEMBL24368209 0.91 NPC1 (0.67) CTSLCTSSCTSKMAPK1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4436951-B1 USE OF AURANTIAMIDE ACETATE IN THE TREATMENT OF HYPERTENSION AKDENIZ UNIV SERMAYE ISLETME MUDURLUGU (TR) 2026-04-08 EP claimed
CN-120053595-A Use of compounds for the treatment of hair loss 澳门科技大学 2025-05-30 CN claimed
EP-4229639-A1 METHOD AND SYSTEMS FOR PHYTOMEDICINE ANALYTICS FOR RESEARCH OPTIMIZATION AT SCALE GBS Global Biopharma, Inc. (CA) 2023-08-23 EP claimed
CN-115010618-B Separation and purification method of aureoyl amide alcohol ester capable of reducing uric acid and application thereof 江西省科学院应用化学研究所 2022-11-01 CN claimed
CN-115010618-A Separation and purification method of aureoyl amide alcohol ester capable of reducing uric acid and application thereof 江西省科学院应用化学研究所 2022-09-06 CN claimed
CN-114588145-A Application of amide alkaloid in preparation of alpha-glucosidase inhibiting drugs 复旦大学 2022-06-07 CN claimed
WO-2022081889-A1 METHOD AND SYSTEMS FOR PHYTOMEDICINE ANALYTICS FOR RESEARCH OPTIMIZATION AT SCALE GBS GLOBAL BIOPHARMA, INC. (CA) 2022-04-21 WO claimed
US-20090247470-A1 PHENYLALANINE DIPEPTIDE DERIVATIVES, COMPOSITIONS AND USE THEREOF The Key Lab. Of Chemistry for Natural Products of Guizhou Province and Chinese Acad. of Sciences (CN) 2009-10-01 US claimed
EP-4436951-B1 USE OF AURANTIAMIDE ACETATE IN THE TREATMENT OF HYPERTENSION AKDENIZ UNIV SERMAYE ISLETME MUDURLUGU (TR) 2026-04-08 EP disclosed
EP-4436951-B1 USE OF AURANTIAMIDE ACETATE IN THE TREATMENT OF HYPERTENSION AKDENIZ UNIV SERMAYE ISLETME MUDURLUGU (TR) 2026-04-08 EP disclosed
CN-120053595-A Use of compounds for the treatment of hair loss 澳门科技大学 2025-05-30 CN disclosed
CN-119633029-A Application of plant extract of herba Violae Alternifoliae in preparing medicine for preventing and treating diabetic retinopathy 河北大学 2025-03-18 CN disclosed
EP-4436951-A4 USE OF AURANTIAMIDE ACETATE IN THE TREATMENT OF HYPERTENSION Akdeniz Universitesidoner Sermaye Isletme Mudurlugu (TR) 2025-03-12 EP disclosed
CN-119235884-A Application of virtual screening compound in preparation of farnesol X receptor agonist and medicine 桂林医学院 2025-01-03 CN disclosed
WO-2022081889-A1 METHOD AND SYSTEMS FOR PHYTOMEDICINE ANALYTICS FOR RESEARCH OPTIMIZATION AT SCALE GBS GLOBAL BIOPHARMA, INC. (CA) 2022-04-21 WO disclosed
CN-112500308-A Golden acylamide alcohol ester and fluorinated derivative thereof, preparation method and application 澳门科技大学 2021-03-16 CN disclosed
US-9023809-B2 Phenylalanine dipeptide derivatives, compositions and use thereof THE KEY LABORATORY OF CHEMISTRY FOR NATURAL PRODUCTS OF GUIZHOU PROVINCE AND CHINESE ACADEMY OF SCIENCES (CN) 2015-05-05 US disclosed
US-20090247470-A1 PHENYLALANINE DIPEPTIDE DERIVATIVES, COMPOSITIONS AND USE THEREOF The Key Lab. Of Chemistry for Natural Products of Guizhou Province and Chinese Acad. of Sciences (CN) 2009-10-01 US disclosed
CN-1194676-C Use of amfetamine alcohol compounds as medicine for treating hepatitis B and preparation method thereof NATURAL PRODUCTS CHEMICAL KEY (CN) 2005-03-30 CN disclosed
CN-1437937-A Use of amfetamine alcohol compounds as medicine for treating hepatitis B and preparation method thereof NATURAL PRODUCTS CHEMICAL KEY (CN) 2003-08-27 CN 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 (1 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-20090247470-A1 PHENYLALANINE DIPEPTIDE DERIVATIVES, COMPOSITIONS AND USE THEREOF DNPEP, PEPD, VIP CTSL 591/4885CTSS 3153/4885CTSK 2637/4885

“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.