SCHEMBL30144590

SCHEMBL30144590

CC(C)C[C@H](NC(=O)c1ccc(NC[C@@H](N)CS)cc1-c1ccccc1)C(=O)O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
FNTA P49354 20/20 1.00
FNTB P49356 18/20 1.00
PGGT1B P53609 17/20 1.00
TDP1 Q9NUW8 3/20 0.75

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
SCHEMBL16136646 1.00 FNTA (1.00) FNTAFNTBPGGT1BTDP1
SCHEMBL2225637 1.00 FNTA (1.00) FNTAFNTBPGGT1BTDP1
SCHEMBL4738546 1.00 FNTA (1.00) FNTAFNTBPGGT1BTDP1
SCHEMBL8495867 1.00 FNTA (1.00) FNTAFNTBPGGT1BTDP1
SCHEMBL14169166 0.93 FNTA (0.87) FNTAFNTBPGGT1BTDP1
SCHEMBL9058589 0.91 FNTA (1.00) FNTAFNTBPGGT1BTDP1
SCHEMBL16136645 0.91 FNTA (1.00) FNTAFNTBPGGT1BTDP1
SCHEMBL29642927 0.91 FNTA (1.00) FNTAFNTBPGGT1BTDP1
SCHEMBL1802360 0.91 FNTA (1.00) FNTAFNTBPGGT1BTDP1
Hydrochloric Acid SCHEMBL8496569 0.91 FNTA (0.98) FNTAFNTBPGGT1BTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117940155-A Immunogenic composition, preparation method and application thereof 清华大学 2024-04-26 CN claimed
WO-2023036249-A1 IMMUNOGENIC COMPOSITION, AND PREPARATION METHOD THEREFOR AND USE THEREOF 清华大学 2023-03-16 WO claimed
CN-117940155-A Immunogenic composition, preparation method and application thereof 清华大学 2024-04-26 CN disclosed
WO-2023036249-A1 IMMUNOGENIC COMPOSITION, AND PREPARATION METHOD THEREFOR AND USE THEREOF 清华大学 2023-03-16 WO disclosed
US-20220409577-A1 INTRATUMORAL ADMINISTRATION OF ASCORBIC ACID AND QUINONE COMPOUNDS FOR TUMOR TREATMENT IC-MedTech Corp. 2022-12-29 US disclosed
US-20220409554-A1 ASCORBIC ACID AND QUINONE COMPOUND FOR CANCER TREATMENT IC-MedTech Corp. 2022-12-29 US 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-20220409577-A1 INTRATUMORAL ADMINISTRATION OF ASCORBIC ACID AND QUINONE COMPOUNDS FOR TUMOR TREATMENT NDUFB7, NDUFA12, NDUFB11 FNTA 597/4885FNTB 977/4885PGGT1B 1948/4885
US-20220409554-A1 ASCORBIC ACID AND QUINONE COMPOUND FOR CANCER TREATMENT NQO1, SDHB, SDHA FNTA 699/4885FNTB 1843/4885PGGT1B 2475/4885

“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.