SCHEMBL12696945

SCHEMBL12696945

COCOCCCS(=O)(=O)NC(c1ccccc1)c1ccccc1C

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DUT P33316 13/20 0.64
▸ SLC6A9 P48067 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ CYP2D6 P10635 2/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ SLC22A2 O15244 1/20 0.34
▸ SLC22A1 O15245 1/20 0.34
▸ GRIN2D O15399 1/20 0.34
▸ GRIN3B O60391 1/20 0.34
▸ CHRM2 P08172 1/20 0.34
▸ CHRM4 P08173 1/20 0.34
▸ CHRM5 P08912 1/20 0.34
▸ ADRA2A P08913 1/20 0.34
▸ CHRM1 P11229 1/20 0.34
▸ ADRA2B P18089 1/20 0.34
▸ CHRM3 P20309 1/20 0.34
▸ DRD1 P21728 1/20 0.34
▸ SLC6A2 P23975 1/20 0.34
▸ HRH2 P25021 1/20 0.34
▸ HTR2A P28223 1/20 0.34

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
SCHEMBL12696962 0.89 DUT (0.57) DUTTSHRALDH1A1
SCHEMBL21690769 0.85 DUT (0.63) DUTSLC6A9CYP2D6ALDH1A1SLC22A2
SCHEMBL12696849 0.80 DUT (0.46) DUT
SCHEMBL12696856 0.80 DUT (0.63) DUTALDH1A1
SCHEMBL1409836 0.78 DUT (1.00) DUT
SCHEMBL12696961 0.78 DUT (0.61) DUTALDH1A1
SCHEMBL12696943 0.77 DUT (0.58) DUT
SCHEMBL12696908 0.76 DUT (0.68) DUT
SCHEMBL12696850 0.75 CA1 (0.53) DUTALDH1A1
SCHEMBL15247580 0.74 DUT (0.67) DUT

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-8530490-B2 Uracil compound or salt thereof having human deoxyuridine triphosphatase inhibitory activity TAIHO PHARMACEUTICAL CO., LTD. (JP) 2013-09-10 — — US disclosed
EP-2295414-B1 URACIL COMPOUND HAVING INHIBITORY ACTIVITY ON HUMAN DEOXYURIDINE TRIPHOSPHATASE OR SALT THEREOF TAIHO PHARMACEUTICAL CO LTD (JP) 2012-09-26 — — EP disclosed
US-20110082163-A1 NOVEL URACIL COMPOUND OR SALT THEREOF HAVING HUMAN DEOXYURIDINE TRIPHOSPHATASE INHIBITORY ACTIVITY TAIHO PHARMACEUTICAL CO., LTD. (JP) 2011-04-07 — — US disclosed
EP-2295414-A1 NOVEL URACIL COMPOUND HAVING INHIBITORY ACTIVITY ON HUMAN DEOXYURIDINE TRIPHOSPHATASE OR SALT THEREOF Taiho Pharmaceutical Co., Ltd. (JP) 2011-03-16 — — EP disclosed
WO-2009147843-A1 NOVEL URACIL COMPOUND HAVING INHIBITORY ACTIVITY ON HUMAN DEOXYURIDINE TRIPHOSPHATASE OR SALT THEREOF 大鵬薬品工業株式会社 (JP) 2009-12-10 — — 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-20110082163-A1 NOVEL URACIL COMPOUND OR SALT THEREOF HAVING HUMAN DEOXYURIDINE TRIPHOSPHATASE INHIBITORY ACTIVITY SNRPB2, SNRPA1, DUT DUT 3/4885SLC6A9 2789/4885TSHR 2310/4885

“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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