SCHEMBL3444482

SCHEMBL3444482

O=C(OS(=O)(=O)C(F)(F)F)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.60
▸ GAA P10253 2/20 0.60
▸ POLB P06746 3/20 0.58
▸ L3MBTL1 Q9Y468 2/20 0.58
▸ HSD11B1 P28845 1/20 0.56
▸ SMN1; SMN2 Q16637 2/20 0.51
▸ PKM P14618 1/20 0.51
▸ KMT2A Q03164 3/20 0.49
▸ AADAT Q8N5Z0 1/20 0.49
▸ MAPT P10636 2/20 0.48
▸ MEN1 O00255 2/20 0.48
▸ LMNA P02545 1/20 0.48
▸ TSHR P16473 1/20 0.48
▸ HTT P42858 1/20 0.46
▸ RECQL P46063 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46

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
SCHEMBL19597541 0.79 ALDH1A1 (0.70) ALDH1A1GAAPOLBL3MBTL1HSD11B1
SCHEMBL19597540 0.79 ALDH1A1 (0.70) ALDH1A1GAAPOLBL3MBTL1HSD11B1
SCHEMBL542345 0.78 ALDH1A1 (0.65) ALDH1A1GAAPOLBL3MBTL1HSD11B1
SCHEMBL21848397 0.78 ALDH1A1 (0.68) ALDH1A1GAAPOLBL3MBTL1HSD11B1
SCHEMBL392680 0.76 ALDH1A1 (1.00) ALDH1A1GAAPOLBL3MBTL1SMN1; SMN2
SCHEMBL478614 0.76 ALDH1A1 (1.00) ALDH1A1GAAPOLBL3MBTL1SMN1; SMN2
SCHEMBL30216480 0.76 ALDH1A1 (1.00) ALDH1A1GAAPOLBL3MBTL1SMN1; SMN2
SCHEMBL4861809 0.76 ALDH1A1 (1.00) ALDH1A1GAAPOLBL3MBTL1SMN1; SMN2
SCHEMBL7270800 0.76 ALDH1A1 (0.74) ALDH1A1GAAPOLBL3MBTL1HSD11B1
SCHEMBL7270796 0.76 ALDH1A1 (0.74) ALDH1A1GAAPOLBL3MBTL1HSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1523493-B1 NOVEL TUBULYSIN ANALOGUES DOEMLING ALEXANDER (DE) 2013-09-04 — — EP disclosed
US-7816377-B2 Tubulysin analogues R&D-BIOPHARMACEUTICALS GMBH (DE) 2010-10-19 — — US disclosed
US-20050239713-A1 Novel tubulysin analogues R&D-BIOPHARMACEUTICALS AM (DE) 2005-10-27 — — US disclosed
EP-1523493-A1 NOVEL TUBULYSIN ANALOGUES Morphochem Aktiengesellschaft Für Kombinatorische Chemie (DE) 2005-04-20 — — EP disclosed
WO-2004005327-A1 NOVEL TUBULYSIN ANALOGUES MORPHOCHEM AG KOMB CHEMIE (DE) 2004-01-15 — — WO 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-20050239713-A1 Novel tubulysin analogues TEK, TEKT1, NGLY1 ALDH1A1 4858/4885GAA 2193/4885POLB 4710/4885

“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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