SCHEMBL12711109

SCHEMBL12711109

C[C@@H](CS(=O)(=O)CCCCCO)c1cccc(OC2CCCC2)c1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ DUT P33316 11/20 0.49
▸ KAT6A Q92794 2/20 0.39
▸ ACACB O00763 1/20 0.38
▸ PTGS1 P23219 1/20 0.36
▸ PTGS2 P35354 1/20 0.36
▸ PDE4A P27815 1/20 0.36
▸ PDE4B Q07343 1/20 0.36
▸ PDE4C Q08493 1/20 0.36
▸ PDE4D Q08499 1/20 0.36

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
SCHEMBL12711105 0.96 DUT (0.47) DUTKAT6AACACBPTGS1PTGS2
SCHEMBL12630553 0.84 DUT (0.67) DUT
SCHEMBL12711107 0.83 DUT (0.50) DUTKAT6AACACBPTGS1PTGS2
SCHEMBL12711116 0.83 DUT (0.49) DUTACACB
SCHEMBL12630551 0.79 DUT (0.66) DUT
SCHEMBL21315518 0.79 DUT (0.66) DUT
SCHEMBL12711111 0.78 DUT (0.47) DUTACACB
SCHEMBL12711136 0.74 TP53 (0.39) DUT
SCHEMBL18713484 0.74 DUT (0.46) DUTKAT6AACACBPTGS1PTGS2
SCHEMBL13606345 0.74 DUT (0.62) 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 2 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
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

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 3/4885KAT6A 4114/4885ACACB 3439/4885

“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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