SCHEMBL14215516

SCHEMBL14215516

C[C@@H](C[S+]([O-])Cc1ccccc1)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APAF1 O14727 1/20 0.40
CYP1A2 P05177 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
TSHR P16473 3/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
HPGD P15428 1/20 0.38
ALPI P09923 1/20 0.38
PKM P14618 1/20 0.38
PTGS1 P23219 1/20 0.38
XIAP P98170 1/20 0.38
SLC7A5 Q01650 1/20 0.38
ALPL P05186 1/20 0.38
POLB P06746 1/20 0.38
ALPG P10696 1/20 0.38
CPA3 P15088 1/20 0.38
CYP3A4 P08684 1/20 0.37
TBXAS1 P24557 1/20 0.37

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
SCHEMBL5518607 0.83 SLC1A3 (0.40) CYP1A2TAAR1CES2CES1TSHR
SCHEMBL29525090 0.79 SLC7A5 (0.55) CYP1A2CES2CES1ALPIPKM
SCHEMBL10804715 0.78 CYP1A2 (0.45) CYP1A2CES2CES1TSHRNPC1
SCHEMBL8533705 0.78 CYP1A2 (0.61) CYP1A2CPA3
Acetone SCHEMBL26919912 0.77 CES2 (0.48) CYP1A2CES2CES1TSHRNPC1
SCHEMBL27834315 0.76 CPA1 (0.43) CYP1A2CES2CES1CPA3FFAR1
SCHEMBL27166774 0.75 APAF1 (0.42) APAF1CYP1A2TSHRPOLBCYP3A4
SCHEMBL1374283 0.74 CPA3 (0.59) CYP1A2TSHRCPA3
SCHEMBL10802678 0.74 SLC1A3 (0.38) CYP1A2CES2CES1TSHRNPC1
SCHEMBL12433073 0.73 ALDH1A1 (0.47) CES2CES1TSHRALPIPKM

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-8367666-B2 3-carbamoyl-2-pyridone derivatives SHIONOGI & CO., LTD. (JP) 2013-02-05 US disclosed
US-20080103139-A1 3-Carbamoyl-2-Pyridone Derivative SHIONOGI & CO. LTD. (JP) 2008-05-01 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-20080103139-A1 3-Carbamoyl-2-Pyridone Derivative CNR1, CNR2, HRH4 APAF1 4200/4885CYP1A2 1310/4885TAAR1 470/4885

“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.