SCHEMBL19632871

SCHEMBL19632871

OC[C@@H](S)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 5/20 0.45
LMNA P02545 1/20 0.41
HTR2A P28223 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40
GSR P00390 1/20 0.39
KDM4E B2RXH2 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CYP2D6 P10635 1/20 0.39
SRC P12931 1/20 0.39
DPP4 P27487 2/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL6401479 1.00 TRPA1 (0.45) TRPA1LMNAHTR2ATAAR1GSR
SCHEMBL1408602 1.00 TRPA1 (0.45) TRPA1LMNAHTR2ATAAR1GSR
SCHEMBL3203278 0.80 TRPA1 (0.48) TRPA1LMNAHTR2ATAAR1KDM4E
SCHEMBL13473250 0.79 LMNA (0.58) TRPA1LMNAHTR2ATAAR1
SCHEMBL879168 0.79 LMNA (0.58) TRPA1LMNAHTR2ATAAR1
SCHEMBL577036 0.79 LMNA (0.58) TRPA1LMNAHTR2ATAAR1
SCHEMBL8443421 0.78 HRH1 (0.46) HTR2ATAAR1DPP4TSHR
SCHEMBL10700271 0.78 HTR2A (0.43) LMNAHTR2ATAAR1DPP4TSHR
SCHEMBL11225849 0.77 ESR1 (0.44) LMNATAAR1KDM4ECYP2D6TSHR
SCHEMBL647478 0.76 HTR2A (0.42) HTR2ATAAR1DPP4TSHR

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170334888-A1 SYNTHESIS OF UDP-GLUCOSE: N-ACYLSPHINGOSINE GLUCOSYLTRANSFERASE INHIBITORS GENZYME CORPORATION 2017-11-23 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-20170334888-A1 SYNTHESIS OF UDP-GLUCOSE: N-ACYLSPHINGOSINE GLUCOSYLTRANSFERASE INHIBITORS UGCG, UGGT1, DPAGT1 TRPA1 4818/4885LMNA 4349/4885HTR2A 3237/4885

“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.