SCHEMBL12711121

SCHEMBL12711121

O=S(=O)(CCCO)CC(c1ccccc1)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.39
▸ CYP2C19 P33261 1/20 0.38
▸ CA2 P00918 3/20 0.37
▸ LMNA P02545 2/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ HSD11B1 P28845 2/20 0.35
▸ CCR3 P51677 1/20 0.35
▸ HTR2A P28223 2/20 0.34
▸ TAAR1 Q96RJ0 1/20 0.34
▸ HRH1 P35367 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ SLC6A3 Q01959 1/20 0.34
▸ PDE4D Q08499 1/20 0.34
▸ GBA1 P04062 1/20 0.34
▸ TACR1 P25103 1/20 0.34
▸ CYP2D6 P10635 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
SCHEMBL12711171 0.84 TRPA1 (0.45) SRCALDH1A1LMNATAAR1POLB
SCHEMBL12711151 0.84 TRPA1 (0.45) SRCALDH1A1LMNATAAR1POLB
SCHEMBL12711153 0.82 CCR5 (0.43) SRCALDH1A1CYP2C19LMNAHSD17B10
SCHEMBL12711128 0.78 DUT (0.45) —
SCHEMBL12922884 0.74 LMNA (0.43) SRCCYP2C19LMNAHTR2ATAAR1
SCHEMBL12711158 0.72 HDAC4 (0.38) GBA1
SCHEMBL12696974 0.71 DUT (0.52) SRCALDH1A1LMNAHSD17B10CCR3
SCHEMBL2935549 0.71 SRC (0.48) SRCALDH1A1CYP2C19LMNAHSD11B1
SCHEMBL12711161 0.70 NR3C2 (0.34) ALDH1A1CA2HSD17B10POLB
SCHEMBL12711154 0.69 CYP3A4 (0.37) ALDH1A1CA2

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 SRC 2061/4885ALDH1A1 1216/4885CYP2C19 3433/4885

“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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