SCHEMBL9610092

SCHEMBL9610092

CC(C)(C#Cc1ccc(N)c(Cl)c1)NC(=O)OC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN11 Q06124 1/20 0.37
▸ GAA P10253 2/20 0.35
▸ CA12 O43570 1/20 0.34
▸ CA1 P00915 1/20 0.34
▸ CA2 P00918 1/20 0.34
▸ CA9 Q16790 1/20 0.34
▸ DDB1 Q16531 1/20 0.34
▸ CRBN Q96SW2 1/20 0.34
▸ HTR4 Q13639 2/20 0.33
▸ GABRA1 P14867 1/20 0.33
▸ GABRG2 P18507 1/20 0.33
▸ GABRB3 P28472 1/20 0.33
▸ GABRA3 P34903 1/20 0.33
▸ GABRA2 P47869 1/20 0.33
▸ AAK1 Q2M2I8 4/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.32
▸ ADRA2A P08913 1/20 0.32
▸ DRD5 P21918 1/20 0.32
▸ DRD3 P35462 1/20 0.32

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
SCHEMBL9610079 0.76 GAA (0.38) GAAALDH1A1
SCHEMBL13064236 0.75 SSTR4 (0.40) GAACA12CA1CA2CA9
SCHEMBL9911389 0.74 CYP3A4 (0.33) ALDH1A1
SCHEMBL14282689 0.73 TTBK1 (0.41) ALDH1A1
SCHEMBL9610113 0.72 CYP3A4 (0.41) PTPN11GAACA12CA1CA2
SCHEMBL14355610 0.72 TRPA1 (0.35) PTPN11DDB1CRBNAAK1
SCHEMBL6814996 0.72 CA12 (0.47) GAACA12CA1CA9ALDH1A1
SCHEMBL30668235 0.72 CA12 (0.47) GAACA12CA1CA9ALDH1A1
SCHEMBL29400197 0.70 PTPN11 (0.42) PTPN11
SCHEMBL21184087 0.70 MEN1 (0.48) ALDH1A1

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-8372807-B2 Methods of modulating uric acid levels ARDEA BIOSCIENCES, INC. (US) 2013-02-12 — — US disclosed
US-20120135929-A1 Methods Of Modulating Uric Acid Levels ARDEA BIOSCIENCES INC. (US) 2012-05-31 — — 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-20120135929-A1 Methods Of Modulating Uric Acid Levels XDH, PON1, OAT PTPN11 2835/4885GAA 246/4885CA12 717/4885

“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.

Send feedback