SCHEMBL24478751

SCHEMBL24478751

Nc1c(OCC(F)F)cc(-c2ccc(F)cn2)cc1C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LDHA P00338 2/20 0.42
EIF4E P06730 1/20 0.36
LCLAT1 Q6UWP7 3/20 0.35
P2RX7 Q99572 1/20 0.35
FEN1 P39748 3/20 0.34
ALOX5AP P20292 2/20 0.34
MKNK2 Q9HBH9 1/20 0.34
KEAP1 Q14145 1/20 0.34
NEK2 P51955 3/20 0.34
DHODH Q02127 1/20 0.33
GABRA5 P31644 1/20 0.33
NPC1 O15118 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
NR1I2 O75469 1/20 0.33
GRM5 P41594 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
SCHEMBL30516696 1.00 LDHA (0.42) LDHAEIF4ELCLAT1P2RX7FEN1
SCHEMBL24478734 0.88 NPC1 (0.38) LDHAP2RX7MKNK2GABRA5NPC1
SCHEMBL30516692 0.88 NPC1 (0.38) LDHAP2RX7MKNK2GABRA5NPC1
SCHEMBL24478656 0.72 KDM4E (0.39) LCLAT1
SCHEMBL30516694 0.72 KDM4E (0.39) LCLAT1
SCHEMBL20522192 0.70 PKM (0.46) LCLAT1MKNK2KEAP1
SCHEMBL24478613 0.70 GRM5 (0.37) P2RX7GRM5
SCHEMBL30516697 0.70 GRM5 (0.37) P2RX7GRM5
SCHEMBL29631164 0.70 GRM5 (0.34) GRM5
SCHEMBL24478743 0.69 PARP1 (0.38)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240025880-A1 AMINO QUINAZOLINE DERIVATIVES AS P2X3 INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2024-01-25 US disclosed
US-20240025880-A1 AMINO QUINAZOLINE DERIVATIVES AS P2X3 INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2024-01-25 US disclosed
CN-116601149-A Aminoquinazoline derivatives as P2X3 inhibitors 奇斯药制品公司 2023-08-15 CN disclosed
WO-2022112490-A1 AMINO QUINAZOLINE DERIVATIVES AS P2X3 INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2022-06-02 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-20240025880-A1 AMINO QUINAZOLINE DERIVATIVES AS P2X3 INHIBITORS P2RX3, P2RX5, P2RX1 LDHA 4586/4885EIF4E 2513/4885LCLAT1 2788/4885

“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.