SCHEMBL22906153

SCHEMBL22906153

CCOC(=O)c1c(C)c(C(=O)C(=O)N[C@H](C)C(F)(F)F)n(C)c1Cl

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.42
USP2 O75604 1/20 0.40
THRB P10828 1/20 0.38
SLC10A1 Q14973 6/20 0.37
HPGD P15428 3/20 0.34
ALDH1A1 P00352 2/20 0.33
TSHR P16473 2/20 0.33
KDM4E B2RXH2 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL28497756 1.00 KMT2A (0.42) KMT2AUSP2THRBSLC10A1HPGD
SCHEMBL22906168 1.00 KMT2A (0.42) KMT2AUSP2THRBSLC10A1HPGD
SCHEMBL25645222 0.87 KMT2A (0.47) KMT2AUSP2THRBHPGDALDH1A1
SCHEMBL22973695 0.84 SLC10A1 (0.40) SLC10A1
SCHEMBL21427855 0.84 SLC10A1 (0.40) SLC10A1
SCHEMBL22973694 0.84 SLC10A1 (0.40) SLC10A1
SCHEMBL28898144 0.81 KMT2A (0.41) KMT2AUSP2THRBHPGDALDH1A1
SCHEMBL21428269 0.79 KMT2A (0.49) KMT2AUSP2THRBHPGDALDH1A1
SCHEMBL22906154 0.76 KMT2A (0.51) KMT2AUSP2THRBHPGDALDH1A1
SCHEMBL22307951 0.76 SLC10A1 (0.53) SLC10A1ALDH1A1

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 9 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-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
CN-115974753-A N-containing heterocyclic five-membered ring compound and application 正大天晴药业集团股份有限公司 2023-04-18 CN disclosed
CN-115974754-A N-containing heterocyclic five-membered ring compound and application 正大天晴药业集团股份有限公司 2023-04-18 CN 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
EP-3778569-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) 2021-02-17 EP disclosed
US-20210017154-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) 2021-01-21 US disclosed
CN-111868026-A Capsid protein assembly inhibitor containing N-heterocyclic five-membered ring, pharmaceutical composition and application thereof 正大天晴药业集团股份有限公司 2020-10-30 CN 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 (4 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 KMT2A 4197/4885USP2 1858/4885THRB 2557/4885
US-12116356-B2 N-heterocyclic five-membered ring-containing capsid protein assembly inhibitor, pharmaceutical composition thereof, and use thereof COG5, HAVCR2, ZC3HAV1 KMT2A 4197/4885USP2 1858/4885THRB 2557/4885
US-20230183208-A1 N-HETEROCYCLIC FIVE-MEMBERED RING-CONTAINING CAPSID PROTEIN ASSEMBLY INHIBITOR, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF COG5, HAVCR2, ZC3HAV1 KMT2A 4197/4885USP2 1858/4885THRB 2557/4885
US-20210017154-A1 N-HETEROCYCLIC FIVE-MEMBERED RING-CONTAINING CAPSID PROTEIN ASSEMBLY INHIBITOR, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF COG5, HAVCR2, ZC3HAV1 KMT2A 4197/4885USP2 1858/4885THRB 2557/4885

“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.