SCHEMBL22050820

SCHEMBL22050820

O=C(Cn1cc(S(=O)(=O)N2CCC(c3ccc(-c4c5ccccc5cc5ccccc45)cc3)CC2)ccc1=O)c1ccc(-c2cccc(C(F)(F)F)c2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ USP5 P45974 4/20 0.44
▸ HDAC6 Q9UBN7 2/20 0.40
▸ CYP1A2 P05177 2/20 0.39
▸ CYP2C19 P33261 2/20 0.39
▸ GAA P10253 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ PKM P14618 1/20 0.39
▸ HTT P42858 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ POLB P06746 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ CNR1 P21554 1/20 0.36
▸ GBA1 P04062 1/20 0.36
▸ KDM2B Q8NHM5 1/20 0.36
▸ HTR1A P08908 1/20 0.36
▸ DRD2 P14416 1/20 0.36
▸ HTR2A P28223 1/20 0.36
▸ HTR7 P34969 1/20 0.36
▸ HTR6 P50406 1/20 0.36

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
SCHEMBL22051935 0.92 USP5 (0.51) USP5HDAC6CYP1A2CYP2C19GAA
SCHEMBL22050486 0.92 USP5 (0.51) USP5HDAC6CYP1A2CYP2C19GAA
SCHEMBL22051258 0.87 USP5 (0.46) USP5HDAC6CYP1A2CYP2C19GAA
SCHEMBL22050851 0.87 USP5 (0.43) USP5HDAC6CYP1A2CYP2C19GAA
SCHEMBL22050821 0.86 MGLL (0.35) HTR1ADRD2HTR2AMGLLP2RY14
SCHEMBL22051926 0.85 USP5 (0.45) USP5HDAC6CYP1A2CYP2C19GAA
SCHEMBL30207105 0.82 GAA (0.47) USP5CYP1A2CYP2C19GAACYP2D6
SCHEMBL18038967 0.82 GAA (0.47) USP5CYP1A2CYP2C19GAACYP2D6
SCHEMBL18038998 0.82 GAA (0.46) CYP1A2CYP2C19GAACYP2D6PKM
SCHEMBL22051934 0.78 S1PR5 (0.39) USP5MGLLADAMTS7ADAMTS5P2RY14

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
US-20220017486-A1 DOCK1-INHIBITING COMPOUND AND USE THEREOF KYUSHU UNIVERSITY, NATIONAL UNIVERSITY CORPORATION (JP) 2022-01-20 — — US claimed
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
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 USP5 3710/4885HDAC6 1347/4885CYP1A2 2153/4885

“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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