SCHEMBL12711158

SCHEMBL12711158

C[C@@H](CS(=O)(=O)CCCO)c1cccc(F)c1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HDAC4 P56524 2/20 0.38
▸ HDAC7 Q8WUI4 1/20 0.38
▸ HDAC5 Q9UQL6 1/20 0.38
▸ CES2 O00748 1/20 0.37
▸ CES1 P23141 1/20 0.37
▸ GBA1 P04062 1/20 0.36
▸ AADAT Q8N5Z0 1/20 0.36
▸ DUT P33316 1/20 0.36
▸ CNR2 P34972 1/20 0.35
▸ MTOR P42345 1/20 0.35
▸ HDAC2 Q92769 1/20 0.34
▸ HDAC8 Q9BY41 1/20 0.34
▸ AOC3 Q16853 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 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
SCHEMBL12711151 0.83 TRPA1 (0.45) AOC3KMT2A
SCHEMBL12711171 0.83 TRPA1 (0.45) AOC3KMT2A
SCHEMBL12711110 0.78 DUT (0.46) DUT
SCHEMBL12711154 0.75 CYP3A4 (0.37) CES2CES1MEN1KMT2A
SCHEMBL775897 0.75 HDAC4 (0.46) HDAC4HDAC7HDAC5CES2CES1
SCHEMBL12827072 0.74 HDAC4 (0.44) HDAC4HDAC7HDAC5CES2CES1
SCHEMBL31165000 0.74 HDAC4 (0.44) HDAC4HDAC7HDAC5CES2CES1
SCHEMBL12284676 0.74 HDAC4 (0.44) HDAC4HDAC7HDAC5CES2CES1
SCHEMBL12711111 0.74 DUT (0.47) DUT
SCHEMBL12711157 0.72 ADRB2 (0.38) AOC3MEN1KMT2A

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 HDAC4 3635/4885HDAC7 2471/4885HDAC5 2981/4885

“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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