SCHEMBL22051931

SCHEMBL22051931

O=C(Cn1cc(S(=O)(=O)N2CCSC2)ccc1=O)c1ccc(-c2cccc(C(F)(F)F)c2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ PKM P14618 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ HTT P42858 1/20 0.41
▸ S1PR5 Q9H228 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ ALDH1A1 P00352 4/20 0.38
▸ LMNA P02545 4/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ SLC6A7 Q99884 1/20 0.37
▸ USP5 P45974 1/20 0.37
▸ KMT2A Q03164 2/20 0.36
▸ DPP4 P27487 1/20 0.36
▸ DPP7 Q9UHL4 1/20 0.36
▸ ADAMTS7 Q9UKP4 1/20 0.36
▸ ADAMTS5 Q9UNA0 1/20 0.36
▸ TRPV4 Q9HBA0 1/20 0.35
▸ HRH3 Q9Y5N1 1/20 0.35

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
SCHEMBL18038967 0.89 GAA (0.47) GAACYP1A2CYP2D6PKMCYP2C19
SCHEMBL30207105 0.89 GAA (0.47) GAACYP1A2CYP2D6PKMCYP2C19
SCHEMBL18038998 0.88 GAA (0.46) GAACYP1A2CYP2D6PKMCYP2C19
SCHEMBL22051935 0.83 USP5 (0.51) GAACYP1A2CYP2D6PKMCYP2C19
SCHEMBL22050486 0.83 USP5 (0.51) GAACYP1A2CYP2D6PKMCYP2C19
SCHEMBL18038984 0.80 HTT (0.48) GAACYP1A2CYP2D6PKMCYP2C19
SCHEMBL22051258 0.80 USP5 (0.46) GAACYP1A2CYP2D6PKMCYP2C19
SCHEMBL18038966 0.79 HTT (0.52) GAACYP1A2CYP2D6PKMCYP2C19
SCHEMBL22050495 0.79 GAA (0.44) GAACYP1A2CYP2D6PKMCYP2C19
SCHEMBL21749683 0.78 GAA (0.46) GAACYP1A2CYP2D6PKMCYP2C19

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 5 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
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 GAA 4425/4885CYP1A2 2153/4885CYP2D6 2988/4885

“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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