SCHEMBL1283158

SCHEMBL1283158

CC(C)(C)C(O)(CCCCCOc1ccc(Cl)cc1F)Cn1nc[nH]c1=S

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR4 O95977 2/20 0.34
GAA P10253 1/20 0.34
MAPK1 P28482 1/20 0.34
ALDH1A1 P00352 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
LMNA P02545 1/20 0.32
HPGD P15428 1/20 0.32
HTT P42858 1/20 0.32
LTB4R Q15722 2/20 0.32
LTB4R2 Q9NPC1 2/20 0.32
HTR1A P08908 1/20 0.32
HTR7 P34969 1/20 0.32
MRGPRX4 Q96LA9 1/20 0.32
CYP3A4 P08684 1/20 0.32
AR P10275 1/20 0.31
PPARG P37231 2/20 0.31
PPARA Q07869 2/20 0.31
EIF4EBP1 Q13541 1/20 0.31
S1PR1 P21453 1/20 0.30
S1PR3 Q99500 1/20 0.30

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
SCHEMBL1282493 0.96 GAA (0.35) S1PR4GAAMAPK1ALDH1A1NPSR1
SCHEMBL1282032 0.90 TRPA1 (0.31) S1PR4LTB4RLTB4R2S1PR1S1PR3
SCHEMBL1281680 0.90 GAA (0.44) S1PR4GAAMAPK1ALDH1A1NPSR1
SCHEMBL1286610 0.89 GAA (0.44) S1PR4GAAMAPK1ALDH1A1NPSR1
SCHEMBL1282138 0.89 TRPA1 (0.32) LTB4RLTB4R2
SCHEMBL1282025 0.86 TRPA1 (0.32) ALDH1A1LMNAHPGD
SCHEMBL1282484 0.86 L3MBTL1 (0.39) MAPK1ALDH1A1CYP3A4
SCHEMBL1282491 0.86 GAA (0.45) S1PR4GAAMAPK1ALDH1A1NPSR1
SCHEMBL1283316 0.85 L3MBTL1 (0.40) MAPK1ALDH1A1CYP3A4
SCHEMBL1282373 0.85 FDPS (0.37) ALDH1A1CYP3A4PPARA

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-20120088660-A1 Antifungal 1,2,4-triazolyl Derivatives BASF SE (DE) 2012-04-12 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-20120088660-A1 Antifungal 1,2,4-triazolyl Derivatives ERG28, CYP51A1, DPM1 S1PR4 2670/4885GAA 777/4885MAPK1 3145/4885

“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.