SCHEMBL22051956

SCHEMBL22051956

CC(=O)Oc1cc(-c2cccc(C(F)(F)F)c2)ccc1C(=O)Cn1cc(S(=O)(=O)N2CCCC2)ccc1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.45
▸ LMNA P02545 6/20 0.45
▸ GAA P10253 4/20 0.42
▸ CYP1A2 P05177 2/20 0.42
▸ CYP2D6 P10635 2/20 0.42
▸ CYP2C19 P33261 2/20 0.42
▸ PKM P14618 1/20 0.42
▸ ALDH1A1 P00352 4/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ ATM Q13315 1/20 0.41
▸ TSHR P16473 3/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ APOBEC3A P31941 1/20 0.41
▸ APOBEC3G Q9HC16 1/20 0.41
▸ HTT P42858 2/20 0.41
▸ POLB P06746 2/20 0.40
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ NPSR1 Q6W5P4 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
SCHEMBL22050825 0.92 MAPT (0.50) MAPTLMNAGAACYP1A2CYP2D6
SCHEMBL22051357 0.88 MAPT (0.42) MAPTLMNAGAACYP1A2CYP2D6
SCHEMBL22050495 0.88 GAA (0.44) MAPTLMNAGAACYP1A2CYP2D6
SCHEMBL21749683 0.88 GAA (0.46) MAPTLMNAGAACYP1A2CYP2D6
SCHEMBL22050826 0.87 GAA (0.45) MAPTLMNAGAACYP1A2CYP2D6
SCHEMBL22050504 0.86 GAA (0.43) MAPTLMNAGAACYP1A2CYP2D6
SCHEMBL30207105 0.84 GAA (0.47) MAPTLMNAGAACYP1A2CYP2D6
SCHEMBL18038967 0.84 GAA (0.47) MAPTLMNAGAACYP1A2CYP2D6
SCHEMBL23877961 0.84 GAA (0.45) MAPTLMNAGAACYP1A2CYP2D6
SCHEMBL22051360 0.83 GRIN2B (0.36) MAPTCYP2C19ALDH1A1HTTPOLB

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 MAPT 3739/4885LMNA 3641/4885GAA 4425/4885

“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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