SCHEMBL22051944

SCHEMBL22051944

O=S(=O)(c1cc(CO)n(CC(O)c2ccc(-c3cccc(C(F)(F)F)c3)cc2)c1)N1CCCC1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ TP53 P04637 2/20 0.40
▸ LMNA P02545 4/20 0.40
▸ ALDH1A1 P00352 4/20 0.40
▸ MAPT P10636 4/20 0.40
▸ GAA P10253 3/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ ATM Q13315 1/20 0.39
▸ GRIN2B Q13224 2/20 0.38
▸ IGF1R P08069 1/20 0.38
▸ TSHR P16473 1/20 0.37
▸ CNR1 P21554 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ BCL9 O00512 1/20 0.36
▸ CTNNB1 P35222 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
SCHEMBL22050850 0.84 TP53 (0.44) KMT2AMEN1TP53LMNAALDH1A1
SCHEMBL22051937 0.76 LMNA (0.40) KMT2AMEN1TP53LMNAALDH1A1
SCHEMBL23877955 0.71 TP53 (0.51) KMT2AMEN1TP53LMNAALDH1A1
SCHEMBL22050501 0.71 TP53 (0.49) KMT2AMEN1TP53LMNAALDH1A1
SCHEMBL22051362 0.71 TP53 (0.46) KMT2AMEN1TP53LMNAALDH1A1
SCHEMBL18038967 0.71 GAA (0.47) KMT2AMEN1TP53LMNAALDH1A1
SCHEMBL30207105 0.71 GAA (0.47) KMT2AMEN1TP53LMNAALDH1A1
SCHEMBL22050836 0.71 KMT2A (0.42) KMT2AMEN1TP53LMNAALDH1A1
SCHEMBL22051968 0.71 TP53 (0.47) KMT2AMEN1TP53LMNAALDH1A1
SCHEMBL24212087 0.71 GRIN2B (0.43) KMT2AMEN1TP53LMNAALDH1A1

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 6 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
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 KMT2A 1929/4885MEN1 1727/4885TP53 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.

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