SCHEMBL10249607

SCHEMBL10249607

CCC(C)Oc1cccc(Cl)c1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
OGG1 O15527 1/20 0.51
SLC6A4 P31645 1/20 0.47
GPBAR1 Q8TDU6 1/20 0.46
CYSLTR1 Q9Y271 1/20 0.46
KMT2A Q03164 2/20 0.44
GRM5 P41594 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
KDM4E B2RXH2 1/20 0.42
PNMT P11086 1/20 0.42

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
SCHEMBL9870144 0.87 OGG1 (0.53) OGG1SLC6A4KMT2AGRM5L3MBTL1
SCHEMBL11665507 0.86 GPBAR1 (0.55) GPBAR1CYSLTR1ALDH1A1MAPT
SCHEMBL19405290 0.86 OGG1 (0.49) OGG1SLC6A4KMT2AGRM5L3MBTL1
SCHEMBL13540951 0.84 OGG1 (0.54) OGG1SLC6A4KMT2AGRM5L3MBTL1
SCHEMBL13219092 0.84 OGG1 (0.54) OGG1SLC6A4KMT2AGRM5L3MBTL1
SCHEMBL19997571 0.82 OGG1 (0.49) OGG1SLC6A4KMT2AGRM5L3MBTL1
SCHEMBL19697151 0.82 OGG1 (0.49) OGG1SLC6A4KMT2AGRM5L3MBTL1
SCHEMBL2092088 0.81 GPBAR1 (0.48) GPBAR1CYSLTR1ALDH1A1MAPT
SCHEMBL17164015 0.81 OGG1 (0.51) OGG1SLC6A4KMT2AGRM5L3MBTL1
SCHEMBL11611713 0.81 OGG1 (0.48) OGG1SLC6A4KMT2AGRM5L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190031653-A1 Derivatives And Methods Of Treating Hepatitis B Infections NOVIRA THERAPEUTICS, INC. 2019-01-31 US disclosed
US-8163720-B2 Pyrrolidinyl phenyl sulphonamides as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-04-24 US disclosed
US-7994174-B2 Pyridyl sulfonamides as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-08-09 US disclosed
US-20110082117-A1 PHENYL SULFONAMIDES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-04-07 US disclosed
US-7799822-B2 Phenyl sulfonamides as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-09-21 US disclosed
US-20090105271-A1 PYRIDYL SULFONAMIDES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED 2009-04-23 US disclosed
US-20080027067-A1 Heterocyclic derivatives as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED 2008-01-31 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 (4 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-20190031653-A1 Derivatives And Methods Of Treating Hepatitis B Infections HAVCR2, PYGL, HCCS OGG1 1383/4885SLC6A4 4189/4885GPBAR1 29/4885
US-20080027067-A1 Heterocyclic derivatives as modulators of ion channels TRPV1, KCNJ2, KCNN3 OGG1 3927/4885SLC6A4 351/4885GPBAR1 646/4885
US-20090105271-A1 PYRIDYL SULFONAMIDES AS MODULATORS OF ION CHANNELS KCNJ2, TRPV1, KCNJ1 OGG1 4301/4885SLC6A4 271/4885GPBAR1 2234/4885
US-20110082117-A1 PHENYL SULFONAMIDES AS MODULATORS OF ION CHANNELS TRPV1, KCNJ2, TRPA1 OGG1 4506/4885SLC6A4 252/4885GPBAR1 1415/4885

“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.