SCHEMBL4902322

SCHEMBL4902322

CCCCC=CS(C)(=O)=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 2/20 0.42
TSHR P16473 3/20 0.42
FAAH O00519 3/20 0.39
ALDH1A1 P00352 3/20 0.39
TRPV1 Q8NER1 2/20 0.39
NPC1 O15118 1/20 0.39
S1PR2 O95136 1/20 0.39
S1PR4 O95977 1/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
XBP1 P17861 1/20 0.39
S1PR1 P21453 1/20 0.39
MAPK1 P28482 1/20 0.39
AGTR1 P30556 1/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL11744908 0.91 FAAH (0.52) PPARATSHRFAAHTRPV1LMNA
SCHEMBL11591630 0.91 FAAH (0.52) PPARATSHRFAAHTRPV1LMNA
SCHEMBL11591628 0.91 FAAH (0.52) PPARATSHRFAAHTRPV1LMNA
SCHEMBL11394754 0.91 FAAH (0.52) PPARATSHRFAAHTRPV1LMNA
SCHEMBL11744897 0.91 FAAH (0.52) PPARATSHRFAAHTRPV1LMNA
SCHEMBL3793670 0.84
SCHEMBL1607005 0.82 PPARA (0.44) PPARATSHRFAAHALDH1A1TRPV1
SCHEMBL1110005 0.80 PPARA (0.42) PPARATSHRFAAHALDH1A1TRPV1
SCHEMBL1110003 0.80 PPARA (0.42) PPARATSHRFAAHALDH1A1TRPV1
SCHEMBL1794508 0.78 PPARA (0.41) PPARATSHRFAAHALDH1A1TRPV1

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-20080269240-A1 Novel Adenine Compound Dainippon Sumitomo Pharma Co., Ltd. a corporation of Japan (JP) 2008-10-30 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-20080269240-A1 Novel Adenine Compound ADORA1, ADORA2A, ADORA3 PPARA 1683/4885TSHR 2895/4885FAAH 2347/4885

“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.