SCHEMBL22050484

SCHEMBL22050484

COc1ccc(S(=O)(=O)N2CCC(c3ccc(-c4ccc(-c5ccc(-c6ccccc6)cc5)cc4)cc3)CC2)cn1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR2B P41595 3/20 0.51
USP5 P45974 3/20 0.50
KCNH2 Q12809 1/20 0.48
POLB P06746 2/20 0.46
TP53 P04637 3/20 0.46
HSD11B1 P28845 2/20 0.46
TSHR P16473 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
USP2 O75604 1/20 0.45
ALDH1A1 P00352 2/20 0.45
GAA P10253 1/20 0.45
LMNA P02545 2/20 0.44
MEN1 O00255 1/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.44
KMT2A Q03164 1/20 0.44
MMP3 P08254 1/20 0.44
STAT3 P40763 1/20 0.43
RAB9A P51151 1/20 0.43

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
SCHEMBL22051298 1.00 HTR2B (0.51) HTR2BUSP5KCNH2POLBTP53
SCHEMBL22051257 0.86 KCNH2 (0.46) HTR2BUSP5KCNH2POLBTP53
SCHEMBL22050472 0.86 MEN1 (0.43) HTR2BUSP5KCNH2POLBTP53
SCHEMBL22050462 0.86 TP53 (0.51) HTR2BUSP5KCNH2POLBTP53
SCHEMBL23888889 0.83 USP5 (0.55) HTR2BUSP5POLBTP53HSD11B1
SCHEMBL22051957 0.82 KCNH2 (0.41) USP5KCNH2POLBTP53HSD11B1
SCHEMBL20772254 0.78 TP53 (0.66) USP5POLBTP53HSD11B1SMN1; SMN2
SCHEMBL21925711 0.76 POLB (0.59) POLBTSHRUSP2ALDH1A1GAA
SCHEMBL28624458 0.76 CHRM5 (0.48) HTR2BUSP5KCNH2POLBTP53
SCHEMBL22051299 0.76 TRPV6 (0.43) LMNAMEN1KMT2A

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 3 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 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 HTR2B 4313/4885USP5 3710/4885KCNH2 3961/4885

“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.