SCHEMBL22729450

SCHEMBL22729450

Cc1cn(-c2ccccc2OCC(F)(F)F)c(=O)c2c(C(=O)Nc3ccc(OC(F)F)nc3)cnn12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ UGCG Q16739 4/20 0.47
▸ TRPV1 Q8NER1 1/20 0.39
▸ SCN9A Q15858 2/20 0.35
▸ MALT1 Q9UDY8 1/20 0.35
▸ MAPT P10636 2/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ LMNA P02545 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ PAX8 Q06710 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ HTR2C P28335 1/20 0.35
▸ S1PR1 P21453 1/20 0.34
▸ USP2 O75604 1/20 0.34
▸ POLB P06746 1/20 0.34

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
SCHEMBL29839316 1.00 UGCG (0.47) UGCGTRPV1SCN9AMALT1MAPT
SCHEMBL29839326 0.93 UGCG (0.51) UGCGTRPV1SCN9AMAPTKDM4E
SCHEMBL22729643 0.93 UGCG (0.51) UGCGTRPV1SCN9AMAPTKDM4E
SCHEMBL22729530 0.85 UGCG (0.48) UGCGTRPV1SCN9AMALT1MAPT
SCHEMBL29839298 0.85 UGCG (0.48) UGCGSCN9AMALT1MAPT
SCHEMBL22729804 0.85 UGCG (0.48) UGCGSCN9AMALT1MAPT
SCHEMBL29839303 0.85 UGCG (0.48) UGCGTRPV1SCN9AMALT1MAPT
SCHEMBL22729397 0.85 UGCG (0.67) UGCGSCN9AMAPTKDM4EHPGD
SCHEMBL29839299 0.85 UGCG (0.67) UGCGSCN9AMAPTKDM4EHPGD
SCHEMBL22729611 0.82 UGCG (0.49) UGCGMAPTMEN1RAB9AKMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210087186-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2021-03-25 — — US disclosed
US-20210087186-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2021-03-25 — — US disclosed
EP-3747885-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2020-12-09 — — EP 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-20210087186-A1 HETEROCYCLIC COMPOUND GBA1, GBA2, GALC UGCG 8/4885TRPV1 1610/4885SCN9A 2915/4885

“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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