SCHEMBL22050499

SCHEMBL22050499

O=C(Cn1cc(S(=O)(=O)N2CCCC2)ccc1=O)c1ccc(-c2cccc(C(F)(F)F)n2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ PKM P14618 2/20 0.44
▸ GAA P10253 2/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ HTT P42858 3/20 0.41
▸ GRIN2B Q13224 2/20 0.41
▸ ALDH1A1 P00352 4/20 0.41
▸ LMNA P02545 4/20 0.41
▸ NPSR1 Q6W5P4 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ POLB P06746 1/20 0.41
▸ ATM Q13315 1/20 0.40
▸ MAPT P10636 2/20 0.39
▸ TP53 P04637 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ SCN9A Q15858 2/20 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
SCHEMBL18038966 0.84 HTT (0.52) L3MBTL1PKMGAACYP1A2CYP2D6
SCHEMBL18038982 0.83 HTT (0.52) L3MBTL1PKMGAACYP1A2CYP2D6
SCHEMBL18038967 0.83 GAA (0.47) L3MBTL1PKMGAACYP1A2CYP2D6
SCHEMBL30207105 0.83 GAA (0.47) L3MBTL1PKMGAACYP1A2CYP2D6
SCHEMBL22051928 0.82 GRIN2B (0.38) PKMGAACYP1A2CYP2D6CYP2C19
SCHEMBL18038998 0.82 GAA (0.46) L3MBTL1PKMGAACYP1A2CYP2D6
SCHEMBL18038960 0.81 ALDH1A1 (0.46) L3MBTL1PKMGAACYP1A2CYP2D6
SCHEMBL18038959 0.81 L3MBTL1 (0.56) L3MBTL1PKMGAACYP1A2CYP2D6
SCHEMBL18038989 0.81 L3MBTL1 (0.56) L3MBTL1PKMGAACYP1A2CYP2D6
SCHEMBL18038954 0.81 L3MBTL1 (0.56) L3MBTL1PKMGAACYP1A2CYP2D6

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 7 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
EP-3888651-A1 DOCK1-INHIBITING COMPOUND AND USE THEREOF Kyushu University, National University Corporation (JP) 2021-10-06 — — EP disclosed
CN-113164444-A DOCK1 inhibiting compounds and uses thereof 国立大学法人九州大学 2021-07-23 — — CN 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 L3MBTL1 69/4885PKM 3080/4885GAA 4425/4885

“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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