SCHEMBL14804163

SCHEMBL14804163

CCc1ccc(OCC2COC(C)(C)O2)c(Cl)c1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ P2RX3 P56373 5/20 0.47
▸ KCNJ5 P48544 1/20 0.39
▸ KCNJ3 P48549 1/20 0.39
▸ DRD4 P21917 8/20 0.39
▸ CSNK2A1 P68400 2/20 0.38
▸ CA2 P00918 1/20 0.38
▸ DRD2 P14416 1/20 0.37

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
SCHEMBL13125239 0.81 HTR7 (0.44) P2RX3KCNJ5KCNJ3CA2
SCHEMBL944361 0.81 P2RX3 (0.41) P2RX3KCNJ5KCNJ3CA2
SCHEMBL945863 0.81 P2RX3 (0.41) P2RX3KCNJ5KCNJ3CA2
SCHEMBL23374815 0.81 P2RX3 (0.41) P2RX3KCNJ5KCNJ3CA2
SCHEMBL13125279 0.80 MRGPRX4 (0.46) P2RX3KCNJ5KCNJ3
SCHEMBL12800745 0.79 P2RX3 (0.39) P2RX3KCNJ5KCNJ3CA2
SCHEMBL2503804 0.77 CA2 (0.40) P2RX3KCNJ5KCNJ3CA2
SCHEMBL2503801 0.77 CA2 (0.40) P2RX3KCNJ5KCNJ3CA2
SCHEMBL358068 0.76 MAPK14 (0.42) P2RX3KCNJ5KCNJ3DRD4CA2
SCHEMBL12519657 0.76 CA2 (0.42) P2RX3KCNJ5KCNJ3DRD4CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8765764-B2 2-acylaminothiazole derivative or salt thereof ASTELLAS PHARMA, INC. (JP) 2014-07-01 — — US disclosed
US-20130079351-A1 2-ACYLAMINOTHIAZOLE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA, INC. (JP) 2013-03-28 — — US 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-20130079351-A1 2-ACYLAMINOTHIAZOLE DERIVATIVE OR SALT THEREOF MPL, JAK2, ABL1 P2RX3 3334/4885KCNJ5 2628/4885KCNJ3 1342/4885

“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.

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