SCHEMBL22050504

SCHEMBL22050504

O=C(Cn1cc(S(=O)(=O)N2CCCC2)ccc1=O)c1ccc(-c2cccc(C(F)(F)F)c2)cc1OCCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 4/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ PKM P14618 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ LMNA P02545 4/20 0.41
▸ MAPT P10636 4/20 0.41
▸ ALDH1A1 P00352 4/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ MEN1 O00255 2/20 0.40
▸ HSD17B10 Q99714 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ S1PR2 O95136 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ TSHR P16473 1/20 0.38
▸ PTGDR2 Q9Y5Y4 1/20 0.38
▸ CYP11B1 P15538 1/20 0.38
▸ CYP11B2 P19099 1/20 0.38

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
SCHEMBL22050825 0.88 MAPT (0.50) GAACYP1A2CYP2D6PKMCYP2C19
SCHEMBL22051357 0.87 MAPT (0.42) GAACYP1A2CYP2D6PKMCYP2C19
SCHEMBL22051956 0.86 MAPT (0.45) GAACYP1A2CYP2D6PKMCYP2C19
SCHEMBL22051345 0.86 KMT2A (0.37) GAACYP1A2CYP2D6CYP2C19LMNA
SCHEMBL21749683 0.85 GAA (0.46) GAACYP1A2CYP2D6PKMCYP2C19
SCHEMBL22050826 0.84 GAA (0.45) GAACYP1A2CYP2D6PKMCYP2C19
SCHEMBL22050495 0.83 GAA (0.44) GAACYP1A2CYP2D6PKMCYP2C19
SCHEMBL23877961 0.83 GAA (0.45) GAACYP1A2CYP2D6PKMCYP2C19
SCHEMBL18038967 0.81 GAA (0.47) GAACYP1A2CYP2D6PKMCYP2C19
SCHEMBL30207105 0.81 GAA (0.47) GAACYP1A2CYP2D6PKMCYP2C19

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-3888651-A1 DOCK1-INHIBITING COMPOUND AND USE THEREOF Kyushu University, National University Corporation (JP) 2021-10-06 — — EP claimed
US-20220017486-A1 DOCK1-INHIBITING COMPOUND AND USE THEREOF KYUSHU UNIVERSITY, NATIONAL UNIVERSITY CORPORATION (JP) 2022-01-20 — — US disclosed
US-20220017486-A1 DOCK1-INHIBITING COMPOUND AND USE THEREOF KYUSHU UNIVERSITY, NATIONAL UNIVERSITY CORPORATION (JP) 2022-01-20 — — US disclosed
EP-3888651-A1 DOCK1-INHIBITING COMPOUND AND USE THEREOF Kyushu University, National University Corporation (JP) 2021-10-06 — — EP disclosed
WO-2020111252-A1 DOCK1-INHIBITING COMPOUND AND USE THEREOF 国立大学法人九州大学 2020-06-04 — — 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-20220017486-A1 DOCK1-INHIBITING COMPOUND AND USE THEREOF DOCK2, DOCK11, DOCK5 GAA 4425/4885CYP1A2 2153/4885CYP2D6 2988/4885

“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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