SCHEMBL12711153

SCHEMBL12711153

CC[C@@H](CS(=O)(=O)CCCO)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CCR5 P51681 1/20 0.43
▸ LMNA P02545 2/20 0.38
▸ POLB P06746 1/20 0.36
▸ SRC P12931 1/20 0.35
▸ TRPA1 O75762 1/20 0.35
▸ ALDH1A1 P00352 3/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ GABBR2 O75899 1/20 0.33
▸ GABBR1 Q9UBS5 1/20 0.33
▸ NR1I2 O75469 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ KCNA5 P22460 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
SCHEMBL12711121 0.82 SRC (0.40) LMNAPOLBSRCALDH1A1HSD17B10
SCHEMBL12711151 0.81 TRPA1 (0.45) LMNAPOLBSRCTRPA1ALDH1A1
SCHEMBL12711171 0.81 TRPA1 (0.45) LMNAPOLBSRCTRPA1ALDH1A1
SCHEMBL6728558 0.76 CCR5 (0.50) CCR5LMNAPOLBSRCALDH1A1
SCHEMBL12711102 0.76 DUT (0.47) —
SCHEMBL3836196 0.74 CCR5 (0.51) CCR5LMNAPOLBGABBR2GABBR1
SCHEMBL1144368 0.74 LMNA (0.47) CCR5LMNATRPA1ALDH1A1HSD17B10
SCHEMBL6728556 0.74 CCR5 (0.51) CCR5LMNAPOLBALDH1A1MEN1
SCHEMBL16057545 0.73 LMNA (0.45) CCR5LMNATRPA1ALDH1A1HSD17B10
SCHEMBL10809368 0.72 CCR5 (0.46) CCR5LMNAPOLBSRCALDH1A1

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 CCR5 3919/4885LMNA 4497/4885POLB 129/4885

“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.

Send feedback