SCHEMBL12711159

SCHEMBL12711159

C#Cc1ccccc1[C@@H](C)CS(=O)(=O)CCCO

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 2/20 0.30
▸ KDM4E B2RXH2 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ CYP1A2 P05177 1/20 0.30
▸ CYP3A4 P08684 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ CYP2C19 P33261 1/20 0.30

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
SCHEMBL12711157 0.82 ADRB2 (0.38) ALDH1A1MAPT
SCHEMBL12711161 0.80 NR3C2 (0.34) KDM4EALDH1A1
SCHEMBL12711160 0.79 HTT (0.38) CYP2C9ALDH1A1CYP3A4CYP2C19
SCHEMBL12711154 0.79 CYP3A4 (0.37) ALDH1A1CYP3A4
SCHEMBL12711162 0.78 ACP3 (0.37) CYP2C9CYP1A2CYP3A4CYP2C19
SCHEMBL12711151 0.75 TRPA1 (0.45) KDM4EALDH1A1MAPT
SCHEMBL12711171 0.75 TRPA1 (0.45) KDM4EALDH1A1MAPT
SCHEMBL12696868 0.69 NPSR1 (0.31) —
SCHEMBL12711158 0.67 HDAC4 (0.38) —
SCHEMBL12711121 0.66 SRC (0.40) ALDH1A1CYP2C19

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 CYP2C9 3753/4885KDM4E 2956/4885ALDH1A1 1216/4885

“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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