SCHEMBL12711151

SCHEMBL12711151

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

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 4/20 0.45
▸ PTGES2 Q9H7Z7 1/20 0.41
▸ TAAR1 Q96RJ0 3/20 0.40
▸ GRIA4 P48058 1/20 0.39
▸ AOC3 Q16853 2/20 0.37
▸ SRC P12931 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.36
▸ RIPK1 Q13546 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ GMNN O75496 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ PMP22 Q01453 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36

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 1.00 TRPA1 (0.45) TRPA1PTGES2TAAR1GRIA4AOC3
SCHEMBL12711121 0.84 SRC (0.40) TAAR1SRCALDH1A1LMNAPOLB
SCHEMBL12711158 0.83 HDAC4 (0.38) AOC3KMT2A
SCHEMBL12711153 0.81 CCR5 (0.43) TRPA1SRCALDH1A1LMNAPOLB
SCHEMBL12711161 0.80 NR3C2 (0.34) ALDH1A1KDM4EPOLBHPGD
SCHEMBL12711160 0.78 HTT (0.38) ALDH1A1POLB
SCHEMBL12711154 0.78 CYP3A4 (0.37) GRIA4ALDH1A1KMT2A
SCHEMBL12711157 0.78 ADRB2 (0.38) AOC3ALDH1A1LMNAMAPTKMT2A
SCHEMBL12711110 0.76 DUT (0.46) ALDH1A1KDM4ELMNA
SCHEMBL28184255 0.76 CYP2C19 (0.53) TRPA1PTGES2TAAR1ALDH1A1LMNA

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 TRPA1 4701/4885PTGES2 4110/4885TAAR1 3447/4885

“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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