SCHEMBL12711154

SCHEMBL12711154

C[C@@H](CS(=O)(=O)CCCO)c1ccccc1F

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.37
▸ GRIA4 P48058 7/20 0.36
▸ EEF2K O00418 3/20 0.35
▸ CA2 P00918 1/20 0.34
▸ MEN1 O00255 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ CES2 O00748 1/20 0.33
▸ CES1 P23141 1/20 0.33
▸ HIF1A Q16665 1/20 0.33

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
SCHEMBL12711161 0.84 NR3C2 (0.34) CA2ALDH1A1
SCHEMBL12711160 0.82 HTT (0.38) CYP3A4CA2ALDH1A1
SCHEMBL12711157 0.82 ADRB2 (0.38) MEN1ALDH1A1KMT2AHIF1A
SCHEMBL12711162 0.82 ACP3 (0.37) CYP3A4
SCHEMBL12711159 0.79 CYP2C9 (0.30) CYP3A4ALDH1A1
SCHEMBL12711151 0.78 TRPA1 (0.45) GRIA4ALDH1A1KMT2A
SCHEMBL12711171 0.78 TRPA1 (0.45) GRIA4ALDH1A1KMT2A
SCHEMBL15431784 0.78 CYP3A4 (0.42) CYP3A4GRIA4EEF2KCES2CES1
SCHEMBL15022607 0.76 CYP3A4 (0.40) CYP3A4ALDH1A1CES2CES1HIF1A
SCHEMBL12711158 0.75 HDAC4 (0.38) MEN1KMT2ACES2CES1

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 CYP3A4 4409/4885GRIA4 4460/4885EEF2K 1165/4885

“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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