SCHEMBL22050817

SCHEMBL22050817

O=C(Cn1cc(S(=O)(=O)N2CCCC2)ccc1=O)c1ccc(-c2ccc3ncccc3c2)cc1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ HPGD P15428 1/20 0.42
▸ NPC1 O15118 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ LMNA P02545 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ PKM P14618 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ CNR1 P21554 3/20 0.40
▸ TSHR P16473 1/20 0.40
▸ NR0B1 P51843 1/20 0.40
▸ EPHX2 P34913 1/20 0.40
▸ CHRM4 P08173 1/20 0.40
▸ CHRM5 P08912 1/20 0.40
▸ USP7 Q93009 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
SCHEMBL22050482 0.93 L3MBTL1 (0.45) L3MBTL1NPC1RAB9AALDH1A1LMNA
SCHEMBL18038987 0.88 MCOLN3 (0.49) L3MBTL1HPGDRAB9AALDH1A1LMNA
SCHEMBL18039003 0.88 MCOLN3 (0.49) L3MBTL1HPGDRAB9AALDH1A1LMNA
SCHEMBL18038965 0.84 L3MBTL1 (0.52) L3MBTL1ALDH1A1LMNAPOLBPKM
SCHEMBL18038954 0.83 L3MBTL1 (0.56) L3MBTL1RAB9AALDH1A1LMNAPOLB
SCHEMBL18038989 0.83 L3MBTL1 (0.56) L3MBTL1RAB9AALDH1A1LMNAPOLB
SCHEMBL18038959 0.83 L3MBTL1 (0.56) L3MBTL1RAB9AALDH1A1LMNAPOLB
SCHEMBL18038953 0.83 L3MBTL1 (0.53) L3MBTL1ALDH1A1LMNAPOLBPKM
SCHEMBL22050500 0.82 HPGD (0.41) HPGDNPC1RAB9APOLBSMN1; SMN2
SCHEMBL18038976 0.81 L3MBTL1 (0.48) L3MBTL1RAB9AALDH1A1LMNAPKM

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 8 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
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 L3MBTL1 69/4885HPGD 2864/4885NPC1 1320/4885

“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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