SCHEMBL25529033

SCHEMBL25529033

COCc1nc(C)c(Br)c(O)c1C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 11/20 0.40
ALDH1A1 P00352 2/20 0.39
MAPK1 P28482 1/20 0.39
HCAR2 Q8TDS4 1/20 0.34
TSHR P16473 2/20 0.33
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
PRKCE Q02156 1/20 0.30

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
SCHEMBL30174197 1.00 P2RX3 (0.40) P2RX3ALDH1A1MAPK1HCAR2TSHR
SCHEMBL9427465 0.77 P2RX3 (0.38) P2RX3HCAR2MEN1KMT2A
SCHEMBL30174318 0.76 ALDH1A1 (0.39) P2RX3ALDH1A1MAPK1MEN1KMT2A
SCHEMBL25529029 0.76 ALDH1A1 (0.39) P2RX3ALDH1A1MAPK1MEN1KMT2A
SCHEMBL25210352 0.70 MAPK1 (0.45) P2RX3ALDH1A1MAPK1HCAR2MEN1
SCHEMBL30063260 0.70 MAPK1 (0.45) P2RX3ALDH1A1MAPK1HCAR2MEN1
SCHEMBL30843854 0.68 KDM4E (0.44) ALDH1A1TSHRMEN1KMT2A
SCHEMBL26967897 0.68 KDM4E (0.44) ALDH1A1TSHRMEN1KMT2A
SCHEMBL6730304 0.66 PTPN1 (0.37) P2RX3MAPK1HCAR2TSHR
SCHEMBL30843852 0.66 HTT (0.55) ALDH1A1TSHRMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230151003-A1 COMPOUNDS AND METHODS OF USE EXELIXIS INC (US) 2023-05-18 US disclosed
US-20230151003-A1 COMPOUNDS AND METHODS OF USE EXELIXIS INC (US) 2023-05-18 US disclosed
CN-115605478-A Compounds and methods of use 埃克塞里艾克西斯公司(US) 2023-01-13 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 (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-20230151003-A1 COMPOUNDS AND METHODS OF USE PRKACB, PRKACA, PRKX P2RX3 1322/4885ALDH1A1 3998/4885MAPK1 310/4885

“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.