SCHEMBL24478656

SCHEMBL24478656

Nc1c(OCC(F)F)cc(Br)cc1C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.39
GLA P06280 1/20 0.39
AKR1C3 P42330 2/20 0.37
AKR1C2 P52895 2/20 0.37
AKR1C1 Q04828 2/20 0.37
AKR1C4 P17516 1/20 0.37
HSD17B10 Q99714 2/20 0.36
TSHR P16473 1/20 0.36
CFD P00746 2/20 0.34
PTGDR2 Q9Y5Y4 2/20 0.33
ALDH1A1 P00352 2/20 0.32
LCK P06239 1/20 0.32
FYN P06241 1/20 0.32
CDC25B P30305 1/20 0.32
CASP6 P55212 1/20 0.32
RCE1 Q9Y256 1/20 0.32
PTGES O14684 1/20 0.31
LMNA P02545 1/20 0.31
GPR35 Q9HC97 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL30516694 1.00 KDM4E (0.39) KDM4EGLAAKR1C3AKR1C2AKR1C1
SCHEMBL24478766 0.85 KDM4E (0.41) KDM4EGLAHSD17B10TSHRALDH1A1
SCHEMBL30516698 0.85 KDM4E (0.41) KDM4EGLAHSD17B10TSHRALDH1A1
SCHEMBL670605 0.78 ALDH1A1 (0.36) KDM4EGLAHSD17B10TSHRALDH1A1
SCHEMBL1319775 0.74 HSD17B10 (0.54) KDM4EGLAAKR1C3AKR1C2AKR1C1
Bromide SCHEMBL14358987 0.73 HSD17B10 (0.53) KDM4EGLAAKR1C3AKR1C2AKR1C1
SCHEMBL31493053 0.73 TSHR (0.37) KDM4EHSD17B10TSHRALDH1A1LCK
SCHEMBL30516696 0.72 LDHA (0.42) LCLAT1
SCHEMBL24478751 0.72 LDHA (0.42) LCLAT1
SCHEMBL20522192 0.71 PKM (0.46) KDM4ETSHRALDH1A1PKMKMT2A

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 KDM4E 3667/4885GLA 4857/4885AKR1C3 2231/4885

“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.