SCHEMBL29516260

SCHEMBL29516260

CC(C)C[C@H](NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ERAP2 Q6P179 8/20 0.61
▸ ECE1 P42892 6/20 0.59
▸ IL1RN P18510 6/20 0.58
▸ ERAP1 Q9NZ08 5/20 0.58
▸ ACE P12821 2/20 0.55
▸ ANPEP P15144 1/20 0.55
▸ TP53 P04637 1/20 0.51
▸ MDM2 Q00987 1/20 0.51

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
SCHEMBL29427859 0.97 ERAP2 (0.63) ERAP2ECE1IL1RNERAP1ACE
SCHEMBL30436333 0.93 ECE1 (0.61) ERAP2ECE1IL1RNERAP1ACE
SCHEMBL30166489 0.93 ECE1 (0.61) ERAP2ECE1IL1RNERAP1ACE
SCHEMBL30500405 0.93 ECE1 (0.59) ERAP2ECE1IL1RNERAP1ACE
SCHEMBL7047253 0.93 KDM4E (0.58) ECE1ACE
SCHEMBL17274594 0.93 KDM4E (0.58) ECE1ACE
SCHEMBL16057308 0.93 KDM4E (0.58) ECE1ACE
SCHEMBL29519434 0.93 KDM4E (0.58) ECE1ACE
SCHEMBL30506397 0.93 ERAP2 (0.59) ERAP2ECE1IL1RNERAP1ANPEP
SCHEMBL31256996 0.92 ERAP2 (0.62) ERAP2ECE1IL1RNERAP1ACE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4743111-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS FOR TREATING FUNGAL INFECTIONS Rutgers, the State University of New Jersey (US) 2026-05-20 — — EP disclosed
US-20250064834-A1 COMPOSITIONS AND METHODS FOR TREATMENT AND PREVENTION OF DISEASES UTILIZING TIRILAZAD SALTS PRENDERGAST PATRICK T (IE) 2025-02-27 — — US disclosed
CN-116064264-B Method for producing recombinant host cells with improved tolerance to terpenes or essential oils containing terpenes and uses thereof 中国科学院天津工业生物技术研究所 2025-01-28 — — CN disclosed
WO-2025015118-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS FOR TREATING FUNGAL INFECTIONS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2025-01-16 — — WO disclosed
CN-119193657-A Method for rapidly and iteratively obtaining long-fragment DNA high-copy integrated saccharomyces cerevisiae recombinants 大连工业大学 2024-12-27 — — CN disclosed
EP-4475853-A1 COMPOSITIONS AND METHODS FOR TREATMENT AND PREVENTION OF DISEASES UTILIZING TIRILAZAD SALTS Prendergast, Patrick T. (IE) 2024-12-18 — — EP disclosed
CN-118813677-A Application of GmKIN gene in regulating and controlling soybean phosphorus absorption and utilization efficiency and yield 河南农业大学 2024-10-22 — — CN disclosed
CN-118804754-A Compositions and methods for treating and preventing diseases using tirapazad salts 帕特里克·T·普伦德加斯特 2024-10-18 — — CN disclosed
US-20240309069-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF DISEASES BYROCK TECHNOLOGIES LIMITED (IE) 2024-09-19 — — US disclosed
US-20240285653-A1 COMPOSITIONS AND METHODS FOR TREATMENT AND PREVENTION OF DISEASES UTILIZING TIRILAZAD SALTS PRENDERGAST PATRICK T (AU) 2024-08-29 — — US disclosed
CN-117925634-A Rice blast resistance and seed development related gene OsMAPKKK, coding protein and application thereof 福建农林大学 2024-04-26 — — CN disclosed
CN-115305254-B Terpenoid chassis microorganism and engineering bacterium as well as construction method and application thereof 中国科学院天津工业生物技术研究所 2024-03-26 — — CN disclosed
CN-115322913-B Recombinant saccharomyces cerevisiae for producing rose essential oil, and construction method and application thereof 中国科学院天津工业生物技术研究所 2024-03-22 — — CN disclosed
WO-2023154647-A1 COMPOSITIONS AND METHODS FOR TREATMENT AND PREVENTION OF DISEASES UTILIZING TIRILAZAD SALTS PRENDERGAST PATRICK T (IE) 2023-08-17 — — WO disclosed
CN-116064264-A Method for producing recombinant host cells with improved tolerance to terpenes or essential oils containing terpenes and uses thereof 中国科学院天津工业生物技术研究所 2023-05-05 — — CN disclosed
CN-115322913-A Recombinant saccharomyces cerevisiae for producing rose essential oil and construction method and application thereof 中国科学院天津工业生物技术研究所 2022-11-11 — — CN disclosed
CN-115305254-A Terpenoid chassis microorganism and engineering bacterium as well as construction method and application thereof 中国科学院天津工业生物技术研究所 2022-11-08 — — CN disclosed
CN-108085262-B Recombinant host cell with increased tolerance to terpenes or terpene-containing essential oils or increased terpene production, method for its production and use thereof 中国科学院天津工业生物技术研究所 2022-08-05 — — CN disclosed
CN-110438099-B Application of glycosyltransferase and related materials thereof in construction of engineering bacteria for producing ginsenosides Rb1 and Rg1 中国科学院天津工业生物技术研究所 2022-04-15 — — 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 (3 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-20240309069-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF DISEASES CTRL, SERPINB1, TIMP3 ERAP2 106/4885ECE1 215/4885IL1RN 347/4885
US-20240285653-A1 COMPOSITIONS AND METHODS FOR TREATMENT AND PREVENTION OF DISEASES UTILIZING TIRILAZAD SALTS TTR, MTPN, CYP24A1 ERAP2 1384/4885ECE1 2740/4885IL1RN 297/4885
US-20250064834-A1 COMPOSITIONS AND METHODS FOR TREATMENT AND PREVENTION OF DISEASES UTILIZING TIRILAZAD SALTS CYP24A1, IL23R, IL17A ERAP2 2627/4885ECE1 2850/4885IL1RN 96/4885

“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.

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