Sugi Predict

Sugi Predict / Compounds / SCHEMBL22050851

SCHEMBL22050851

SCHEMBL22050851

O=C(Cn1cc(S(=O)(=O)N2CCC(c3ccc(-c4ccc5ccc6cccc7ccc4c5c67)cc3)CC2)ccc1=O)c1ccc(-c2cccc(C(F)(F)F)c2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ USP5 P45974 3/20 0.43
▸ P2RY14 Q15391 11/20 0.38
▸ HDAC6 Q9UBN7 2/20 0.37
▸ DRD1 P21728 3/20 0.37
▸ DRD5 P21918 3/20 0.37
▸ ADRA1A P35348 2/20 0.37
▸ DRD3 P35462 2/20 0.37
▸ ADRA2A P08913 2/20 0.37
▸ ADRA1B P35368 2/20 0.37
▸ ADRB3 P13945 1/20 0.37
▸ ADRA2C P18825 1/20 0.37
▸ HTR1D P28221 1/20 0.37
▸ HTR1E P28566 1/20 0.37
▸ TSPO P30536 1/20 0.37
▸ HTR5A P47898 1/20 0.37
▸ KCNH2 Q12809 1/20 0.37
▸ SIGMAR1 Q99720 1/20 0.37
▸ HRH4 Q9H3N8 1/20 0.37
▸ CYP1A2 P05177 2/20 0.36
▸ CYP2C19 P33261 2/20 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
SCHEMBL22050486 0.89 USP5 (0.51) USP5HDAC6CYP1A2CYP2C19GAA
SCHEMBL22051935 0.89 USP5 (0.51) USP5HDAC6CYP1A2CYP2C19GAA
SCHEMBL22050820 0.87 USP5 (0.44) USP5P2RY14HDAC6CYP1A2CYP2C19
SCHEMBL23888887 0.86 P2RY14 (0.38) P2RY14DRD1DRD5ADRA1ADRD3
SCHEMBL22051258 0.85 USP5 (0.46) USP5HDAC6CYP1A2CYP2C19GAA
SCHEMBL22051926 0.85 USP5 (0.45) USP5P2RY14HDAC6CYP1A2CYP2C19
SCHEMBL18038967 0.81 GAA (0.47) USP5CYP1A2CYP2C19GAACYP2D6
SCHEMBL30207105 0.81 GAA (0.47) USP5CYP1A2CYP2C19GAACYP2D6
SCHEMBL18038998 0.80 GAA (0.46) CYP1A2CYP2C19GAACYP2D6PKM
SCHEMBL22051931 0.76 GAA (0.42) USP5CYP1A2CYP2C19GAACYP2D6

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 3710/4885P2RY14 4513/4885HDAC6 1347/4885

“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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