SCHEMBL23213853

SCHEMBL23213853

C[C@@H](C(=O)O)N(C=O)c1cc(Cl)cc(C(F)(F)F)c1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
P2RX1 P51575 1/20 0.40
TACR1 P25103 2/20 0.39
ATF1 P18846 1/20 0.34
NFKB1 P19838 1/20 0.34
POLQ O75417 2/20 0.33
FFAR4 Q5NUL3 1/20 0.33
SLC13A3 Q8WWT9 1/20 0.33
GRN P28799 1/20 0.33
SORT1 Q99523 1/20 0.33
GPR35 Q9HC97 1/20 0.33
PPARG P37231 3/20 0.32
GPBAR1 Q8TDU6 1/20 0.32
RXRA P19793 1/20 0.32
RXRB P28702 1/20 0.32
RXRG P48443 1/20 0.32
ALDH1A1 P00352 1/20 0.32
RAPGEF3 O95398 1/20 0.31
RAPGEF4 Q8WZA2 1/20 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
SCHEMBL23213653 0.85 GRN (0.36) TACR1ATF1NFKB1GRNSORT1
SCHEMBL23213839 0.79 GPR139 (0.33)
SCHEMBL16764150 0.72 P2RX1 (0.52) P2RX1TACR1ATF1NFKB1POLQ
SCHEMBL24083162 0.72 KDM4E (0.35) P2RX1ATF1NFKB1
SCHEMBL12436222 0.71 P2RX1 (0.51) P2RX1TACR1ATF1NFKB1SLC13A3
SCHEMBL12471283 0.70 SLC13A3 (0.36) P2RX1FFAR4SLC13A3ALDH1A1RAPGEF4
SCHEMBL10786707 0.68 ALDH1A1 (0.40) ALDH1A1
SCHEMBL7815263 0.68 ALDH1A1 (0.40) ALDH1A1
SCHEMBL11907625 0.67 P2RX1 (0.42) P2RX1TACR1ATF1NFKB1SLC13A3
SCHEMBL22770471 0.65 PPARG (0.41) TACR1FFAR4SLC13A3GRNSORT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4041393-B1 NOVEL HETEROARYL-TRIAZOLE COMPOUNDS AS PESTICIDES BAYER AG (DE) 2026-04-08 EP disclosed
US-20230028441-A1 NOVEL HETEROARYL-TRIAZOLE COMPOUNDS AS PESTICIDES ELANCO ANIMAL HEALTH GMBH (DE) 2023-01-26 US disclosed
US-20230028441-A1 NOVEL HETEROARYL-TRIAZOLE COMPOUNDS AS PESTICIDES ELANCO ANIMAL HEALTH GMBH (DE) 2023-01-26 US disclosed
EP-4041393-A1 NOVEL HETEROARYL-TRIAZOLE COMPOUNDS AS PESTICIDES Bayer Aktiengesellschaft (DE) 2022-08-17 EP disclosed
WO-2021069567-A1 NOVEL HETEROARYL-TRIAZOLE COMPOUNDS AS PESTICIDES BAYER AKTIENGESELLSCHAFT (DE) 2021-04-15 WO disclosed
WO-2021069567-A1 NOVEL HETEROARYL-TRIAZOLE COMPOUNDS AS PESTICIDES BAYER AKTIENGESELLSCHAFT (DE) 2021-04-15 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-20230028441-A1 NOVEL HETEROARYL-TRIAZOLE COMPOUNDS AS PESTICIDES PRXL2A, GLRX3, CYP4F3 P2RX1 422/4885TACR1 2488/4885ATF1 4763/4885

“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.