SCHEMBL12800745

SCHEMBL12800745

CC1OC(c2ccc(OCC3COC(C)(C)O3)c(Cl)c2)O1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ P2RX3 P56373 3/20 0.39
▸ KCNJ5 P48544 2/20 0.37
▸ KCNJ3 P48549 2/20 0.37
▸ CA2 P00918 1/20 0.35
▸ MAPK14 Q16539 7/20 0.34
▸ F2RL3 Q96RI0 1/20 0.34
▸ CCNK O75909 1/20 0.33
▸ CDK12 Q9NYV4 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
SCHEMBL14804163 0.79 P2RX3 (0.47) P2RX3KCNJ5KCNJ3CA2
SCHEMBL12800784 0.77 NPC1 (0.45) —
SCHEMBL945863 0.77 P2RX3 (0.41) P2RX3KCNJ5KCNJ3CA2MAPK14
SCHEMBL944361 0.77 P2RX3 (0.41) P2RX3KCNJ5KCNJ3CA2MAPK14
SCHEMBL23374815 0.77 P2RX3 (0.41) P2RX3KCNJ5KCNJ3CA2MAPK14
SCHEMBL13125279 0.76 MRGPRX4 (0.46) P2RX3KCNJ5KCNJ3
SCHEMBL2503804 0.73 CA2 (0.40) P2RX3KCNJ5KCNJ3CA2MAPK14
SCHEMBL2503801 0.73 CA2 (0.40) P2RX3KCNJ5KCNJ3CA2MAPK14
SCHEMBL13125239 0.73 HTR7 (0.44) P2RX3KCNJ5KCNJ3CA2
SCHEMBL12519657 0.72 CA2 (0.42) P2RX3KCNJ5KCNJ3CA2MAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8338429-B2 2-acylaminothiazole derivative or salt thereof ASTELLAS PHARMA, INC. (JP) 2012-12-25 — — US disclosed
EP-2314586-A1 2-Acylaminothiazole derivative or salt thereof Astellas Pharma Inc. (JP) 2011-04-27 — — EP disclosed
US-20100222329-A1 2-ACYLAMINOTHIAZOLE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2010-09-02 — — US disclosed
US-20100222361-A1 2-ACYLAMINOTHIAZOLE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2010-09-02 — — US disclosed
US-7638536-B2 N-[4-(4-chlorothiophen-2-yl)-5-(4-cyclohexylpiperazin-1-yl)thiazol-2-yl]-3-fluoro-4-hydroxybenzamide; nonpeptide c-mpl ligand; low immunogenicity; proliferate human c-mpl-Ba/F3 cells; increase platelets by promoting the formation of megakaryocytic colonies; orally ASTELLAS PHARMA INC. (JP) 2009-12-29 — — 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 (2 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-20100222329-A1 2-ACYLAMINOTHIAZOLE DERIVATIVE OR SALT THEREOF MPL, JAK2, ABL1 P2RX3 3334/4885KCNJ5 2628/4885KCNJ3 1342/4885
US-20100222361-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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