SCHEMBL10112242

SCHEMBL10112242

CCCc1cnc(C#N)c2c1ccn2S(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.39
▸ RAPGEF4 Q8WZA2 1/20 0.38
▸ L3MBTL1 Q9Y468 3/20 0.38
▸ HTR6 P50406 4/20 0.36
▸ BRD4 O60885 5/20 0.36
▸ ALDH1A1 P00352 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ POLB P06746 1/20 0.34
▸ ALDH3A1 P30838 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ NOD1 Q9Y239 1/20 0.34
▸ CYP19A1 P11511 1/20 0.34
▸ CCR6 P51684 1/20 0.33
▸ HSD11B1 P28845 1/20 0.33

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
SCHEMBL2123770 0.88 PPARG (0.38) MAPTL3MBTL1HTR6BRD4ALDH1A1
SCHEMBL2122196 0.86 PIK3C3 (0.37) MAPTRAPGEF4L3MBTL1ALDH1A1LMNA
SCHEMBL16336240 0.82 MAPT (0.41) MAPTRAPGEF4L3MBTL1HTR6BRD4
SCHEMBL13003223 0.76 RAPGEF4 (0.44) MAPTRAPGEF4L3MBTL1HTR6BRD4
SCHEMBL10104096 0.72 RAPGEF4 (0.39) RAPGEF4L3MBTL1HTR6ALDH1A1MEN1
SCHEMBL4012555 0.71 L3MBTL1 (0.49) MAPTRAPGEF4L3MBTL1HTR6BRD4
SCHEMBL16056304 0.70 RAPGEF4 (0.44) RAPGEF4L3MBTL1HTR6ALDH1A1MEN1
SCHEMBL10112112 0.70 HTR6 (0.37) RAPGEF4L3MBTL1HTR6BRD4ALDH1A1
SCHEMBL2121103 0.70 PIK3C3 (0.38) MAPTRAPGEF4L3MBTL1BRD4ALDH1A1
SCHEMBL15366060 0.70 RAPGEF4 (0.40) RAPGEF4L3MBTL1HTR6BRD4ALDH1A1

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-20120101124-A1 1,2,4-OXADIAZOL DERIVATIVES, THEIR PHARMACEUTICAL COMPOSITIONS AND THEIR USE AS SPHINGOSINE 1-PHOSPHATE 1 RECEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 2012-04-26 — — 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-20120101124-A1 1,2,4-OXADIAZOL DERIVATIVES, THEIR PHARMACEUTICAL COMPOSITIONS AND THEIR USE AS SPHINGOSINE 1-PHOSPHATE 1 RECEPTOR AGONISTS S1PR1, S1PR3, S1PR2 MAPT 2812/4885RAPGEF4 822/4885L3MBTL1 4809/4885

“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.

Send feedback