SCHEMBL30294231

SCHEMBL30294231

Cc1c(C(=O)O)cc(C(=O)C(=O)N[C@@H](C)C(F)(F)F)n1C

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 7/20 0.35
SLC10A1 Q14973 6/20 0.33
GSK3B P49841 2/20 0.32
DYRK1A Q13627 2/20 0.32
BRD4 O60885 1/20 0.32
PPARG P37231 1/20 0.32
PHGDH O43175 2/20 0.31

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
SCHEMBL22906212 0.82 PHGDH (0.30) PHGDH
SCHEMBL28486708 0.82 PHGDH (0.30) PHGDH
SCHEMBL22906160 0.76 CYP2C9 (0.36) NOTUM
SCHEMBL21408328 0.75 KMT2A (0.35) SLC10A1GSK3BDYRK1APHGDH
SCHEMBL21412861 0.75 KMT2A (0.35) SLC10A1GSK3BDYRK1APHGDH
SCHEMBL21408326 0.75 KMT2A (0.35) SLC10A1GSK3BDYRK1APHGDH
SCHEMBL22308116 0.74 SLC10A1 (0.48) SLC10A1
SCHEMBL22308115 0.74 SLC10A1 (0.48) SLC10A1
SCHEMBL28631357 0.74 SLC10A1 (0.48) SLC10A1
SCHEMBL28638202 0.74 SLC10A1 (0.46) SLC10A1

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-12116356-B2 N-heterocyclic five-membered ring-containing capsid protein assembly inhibitor, pharmaceutical composition thereof, and use thereof CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2024-10-15 US disclosed
US-20230183208-A1 N-HETEROCYCLIC FIVE-MEMBERED RING-CONTAINING CAPSID PROTEIN ASSEMBLY INHIBITOR, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2023-06-15 US disclosed
US-11597716-B2 N-heterocyclic five-membered ring-containing capsid protein assembly inhibitor, pharmaceutical composition thereof, and use thereof CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2023-03-07 US 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 (3 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-11597716-B2 N-heterocyclic five-membered ring-containing capsid protein assembly inhibitor, pharmaceutical composition thereof, and use thereof COG5, HAVCR2, ZC3HAV1 NOTUM 937/4885SLC10A1 35/4885GSK3B 652/4885
US-12116356-B2 N-heterocyclic five-membered ring-containing capsid protein assembly inhibitor, pharmaceutical composition thereof, and use thereof COG5, HAVCR2, ZC3HAV1 NOTUM 937/4885SLC10A1 35/4885GSK3B 652/4885
US-20230183208-A1 N-HETEROCYCLIC FIVE-MEMBERED RING-CONTAINING CAPSID PROTEIN ASSEMBLY INHIBITOR, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF COG5, HAVCR2, ZC3HAV1 NOTUM 937/4885SLC10A1 35/4885GSK3B 652/4885

“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.