SCHEMBL22051257

SCHEMBL22051257

COc1ccc(S(=O)(=O)N2CCC(c3ccc(-c4cc(F)c(F)c(F)c4)cc3)CC2)cn1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.46
GCK P35557 1/20 0.42
TP53 P04637 4/20 0.42
ALDH1A1 P00352 2/20 0.42
TSHR P16473 2/20 0.42
LMNA P02545 2/20 0.42
HTT P42858 2/20 0.42
POLB P06746 1/20 0.42
HTR2B P41595 1/20 0.41
USP5 P45974 5/20 0.41
CCR2 P41597 1/20 0.41
HDAC6 Q9UBN7 2/20 0.40
USP3 Q9Y6I4 1/20 0.40
PTGDR Q13258 1/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
THRB P10828 1/20 0.39

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
SCHEMBL22050484 0.86 HTR2B (0.51) KCNH2TP53ALDH1A1TSHRLMNA
SCHEMBL22051298 0.86 HTR2B (0.51) KCNH2TP53ALDH1A1TSHRLMNA
SCHEMBL28624458 0.82 CHRM5 (0.48) KCNH2GCKTP53ALDH1A1TSHR
SCHEMBL22050472 0.80 MEN1 (0.43) KCNH2GCKTP53ALDH1A1TSHR
SCHEMBL22050462 0.79 TP53 (0.51) KCNH2GCKTP53ALDH1A1TSHR
SCHEMBL22051254 0.78 CCR2 (0.37) KCNH2CCR2
SCHEMBL22051309 0.76 TSHR (0.48) TP53ALDH1A1TSHRLMNAHTT
SCHEMBL22051957 0.76 KCNH2 (0.41) KCNH2GCKTP53ALDH1A1TSHR
SCHEMBL20772254 0.74 TP53 (0.66) TP53ALDH1A1LMNAHTTPOLB
SCHEMBL21925711 0.72 POLB (0.59) ALDH1A1TSHRLMNAHTTPOLB

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 4 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
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 KCNH2 3961/4885GCK 3622/4885TP53 1002/4885

“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.