SCHEMBL22307697

SCHEMBL22307697

C[C@@H](NC(=O)C(=O)c1c(Cl)c(C(=O)O)c2n1CCC2)C(F)(F)F

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SLC10A1 Q14973 16/20 0.54
KMT2A Q03164 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPK1 P28482 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
SCHEMBL23224036 1.00 SLC10A1 (0.54) SLC10A1KMT2AKDM4EMAPK1
SCHEMBL22307722 1.00 SLC10A1 (0.54) SLC10A1KMT2AKDM4EMAPK1
SCHEMBL23223989 0.92 SLC10A1 (0.55) SLC10A1MAPK1
SCHEMBL23223990 0.92 SLC10A1 (0.55) SLC10A1MAPK1
SCHEMBL23224045 0.89 SLC10A1 (0.52) SLC10A1KMT2AMAPK1
SCHEMBL23224038 0.89 SLC10A1 (0.52) SLC10A1KMT2AMAPK1
SCHEMBL22307243 0.87 SLC10A1 (0.57) SLC10A1KDM4E
SCHEMBL28634538 0.87 SLC10A1 (0.57) SLC10A1KDM4E
SCHEMBL22307696 0.85 SLC10A1 (0.51) SLC10A1MAPK1
SCHEMBL22307721 0.85 SLC10A1 (0.51) SLC10A1MAPK1

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
CN-113365999-B Capsid protein assembly inhibitors containing pyrroloheterocycles 正大天晴药业集团股份有限公司 2023-04-14 CN disclosed
US-20220204510-A1 2,3-DIHYDRO-1H-PYRROLIZINE-7-FORMAMIDE DERIVATIVE AND APPLICATION THEREOF CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2022-06-30 US disclosed
CN-113365999-A Capsid protein assembly inhibitors containing pyrroloheterocycles 正大天晴药业集团股份有限公司 2021-09-07 CN disclosed
EP-3805223-A1 2,3-DIHYDRO-1H-PYRROLIZINE-7-FORMAMIDE DERIVATIVE AND APPLICATION THEREOF Chia Tai Tianqing Pharmaceutical Group Co., Ltd. (CN) 2021-04-14 EP disclosed
WO-2020156494-A1 CAPSID PROTEIN ASSEMBLY INHIBITOR CONTAINING PYRROLO HETEROCYCLE 正大天晴药业集团股份有限公司 2020-08-06 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-20220204510-A1 2,3-DIHYDRO-1H-PYRROLIZINE-7-FORMAMIDE DERIVATIVE AND APPLICATION THEREOF DPYD, EIF2AK2, INF2 SLC10A1 76/4885KMT2A 1796/4885KDM4E 3079/4885

“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.