SCHEMBL23839859

SCHEMBL23839859

O=C1NC(S)S/C1=C\c1cnn(-c2cccc(F)c2)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MTOR P42345 11/20 0.64
▸ RPTOR Q8N122 4/20 0.47
▸ MLST8 Q9BVC4 4/20 0.47
▸ ALDH1A1 P00352 6/20 0.43
▸ KMT2A Q03164 5/20 0.41
▸ MEN1 O00255 4/20 0.41
▸ HPGD P15428 3/20 0.41
▸ POLB P06746 3/20 0.41
▸ PKM P14618 2/20 0.41
▸ NPSR1 Q6W5P4 2/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ ALPG P10696 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ ALOX12 P18054 1/20 0.41
▸ NTSR1 P30989 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ NPC1 O15118 1/20 0.39
▸ LMNA P02545 1/20 0.37
▸ PIM1 P11309 1/20 0.37
▸ PIM2 Q9P1W9 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
SCHEMBL29249417 0.88 MTOR (0.49) MTORRPTORMLST8ALDH1A1KMT2A
SCHEMBL29249409 0.86 MTOR (0.61) MTORRPTORMLST8ALDH1A1KMT2A
SCHEMBL29249426 0.86 MTOR (0.62) MTORRPTORMLST8ALDH1A1KMT2A
SCHEMBL29249434 0.83 MTOR (0.47) MTORRPTORMLST8ALDH1A1KMT2A
SCHEMBL29249413 0.82 MTOR (0.65) MTORRPTORMLST8ALDH1A1KMT2A
SCHEMBL29249407 0.81 KMT2A (0.43) MTORRPTORMLST8ALDH1A1KMT2A
SCHEMBL29249408 0.80 MTOR (0.63) MTORRPTORMLST8ALDH1A1KMT2A
SCHEMBL23036901 0.80 MTOR (0.80) MTORRPTORMLST8PIM1PIM2
SCHEMBL29249433 0.80 ALDH1A1 (0.57) MTORRPTORMLST8ALDH1A1KMT2A
SCHEMBL29249424 0.80 MTOR (0.61) MTORRPTORMLST8ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112368279-B Novel compounds as mTOR inhibitors and uses thereof 医药生命融合研究团 2024-05-28 — — CN claimed
CN-112368279-B Novel compounds as mTOR inhibitors and uses thereof 医药生命融合研究团 2024-05-28 — — CN disclosed
US-11649231-B2 Compound as mTOR inhibitor and use thereof MEDICINAL BIOCONVERGENCE RESEARCH CENTER (KR) 2023-05-16 — — US disclosed
US-20210292314-A1 NOVEL COMPOUND AS mTOR INHIBITOR AND USE THEREOF MEDICINAL BIOCONVERGENCE RESEARCH CENTER (KR) 2021-09-23 — — 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-11649231-B2 Compound as mTOR inhibitor and use thereof MTOR, RICTOR, RPTOR MTOR 1/4885RPTOR 3/4885MLST8 8/4885
US-20210292314-A1 NOVEL COMPOUND AS mTOR INHIBITOR AND USE THEREOF MTOR, RICTOR, RPTOR MTOR 1/4885RPTOR 3/4885MLST8 8/4885

“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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