SCHEMBL454804

SCHEMBL454804

CCCc1nc(-c2ccc(OCC(C)C)c(C#N)c2)sc1C(=O)O

nearest known ligand 0.75

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ XDH P47989 10/20 0.75
▸ ABCC4 O15439 1/20 0.75
▸ ABCB11 O95342 1/20 0.75
▸ PGR P06401 1/20 0.75
▸ CHRM1 P11229 1/20 0.75
▸ PDE4A P27815 1/20 0.75
▸ BLVRB P30043 1/20 0.75
▸ TARBP2 Q15633 1/20 0.75
▸ HDAC6 Q9UBN7 1/20 0.75
▸ ABCG2 Q9UNQ0 1/20 0.75
▸ SLC22A12 Q96S37 1/20 0.54
▸ PPID Q08752 1/20 0.54
▸ S1PR1 P21453 1/20 0.53

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
SCHEMBL14240896 0.92 XDH (0.78) XDHABCC4ABCB11PGRCHRM1
SCHEMBL19523356 0.90 XDH (0.78) XDHABCC4ABCB11PGRCHRM1
Febuxostat SCHEMBL29398803 0.86 XDH (1.00) XDHABCC4ABCB11PGRCHRM1
Febuxostat SCHEMBL249339 0.86 XDH (1.00) XDHABCC4ABCB11PGRCHRM1
Febuxostat SCHEMBL28271887 0.86 XDH (1.00) XDHABCC4ABCB11PGRCHRM1
Febuxostat SCHEMBL30161803 0.86 XDH (1.00) XDHABCC4ABCB11PGRCHRM1
Febuxostat SCHEMBL27935497 0.85 XDH (0.98) XDHABCC4ABCB11PGRCHRM1
Febuxostat SCHEMBL27935500 0.85 XDH (0.98) XDHABCC4ABCB11PGRCHRM1
Febuxostat SCHEMBL2635494 0.84 XDH (0.96) XDHABCC4ABCB11PGRCHRM1
SCHEMBL19523355 0.82 XDH (0.68) XDHABCC4ABCB11PGRCHRM1

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-20130172571-A1 PROCESS TO PREPARE ETHYL 4-METHYL-2-(4-(2-METHYLPROPYLOXY)-3-CYANOPHENYL)-5-THIAZOLECARBOXYLATE NATCO PHARMA LIMITED (IN) 2013-07-04 — — US disclosed
WO-2012032528-A2 IMPROVED PROCESS TO PREPARE ETHYL 4-METHYL-2-(4-(2-METHYLPROPYLOXY)-3-CYANOPHENYL)-5-THIAZOLECARBOXYLATE NATCO PHARMA LIMITED (IN) 2012-03-15 — — 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-20130172571-A1 PROCESS TO PREPARE ETHYL 4-METHYL-2-(4-(2-METHYLPROPYLOXY)-3-CYANOPHENYL)-5-THIAZOLECARBOXYLATE FIP1L1, UMPS, UBXN4 XDH 55/4885ABCC4 1420/4885ABCB11 4469/4885

“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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