SCHEMBL2135449

SCHEMBL2135449

Cc1ccc2c(c1)C(C)(C)CC(c1ccccc1NS(=O)(=O)c1cccc(F)c1)N2

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC10A2 Q12908 1/20 0.46
SLC10A1 Q14973 1/20 0.46
SLC10A6 Q3KNW5 1/20 0.46
ITK Q08881 1/20 0.38
MAPT P10636 3/20 0.37
GAA P10253 2/20 0.37
TP53 P04637 1/20 0.37
USP2 O75604 1/20 0.37
MAP2K4 P45985 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
SLC40A1 Q9NP59 1/20 0.36
PKM P14618 3/20 0.36

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
SCHEMBL2135133 0.90 METAP2 (0.42) MAPTUSP2ALDH1A1LMNASMN1; SMN2
SCHEMBL2138437 0.90 CCR1 (0.41) SLC10A2SLC10A1SLC10A6MAP2K4SLC40A1
SCHEMBL2137469 0.88 MEN1 (0.40) SLC10A2SLC10A1SLC10A6MAPTGAA
SCHEMBL2137387 0.88 SLC10A2 (0.41) SLC10A2SLC10A1SLC10A6MAPTKDM4E
SCHEMBL2615619 0.86 PGR (0.38) SLC10A2SLC10A1SLC10A6TP53USP2
SCHEMBL16239500 0.85 SLC10A2 (0.40) SLC10A2SLC10A1SLC10A6USP2ALDH1A1
SCHEMBL2135798 0.85 NPSR1 (0.42) SLC10A2SLC10A1SLC10A6MAPTTP53
SCHEMBL2136004 0.84 PKM (0.44) SLC10A2SLC10A1SLC10A6ITKMAPT
SCHEMBL2135562 0.83 KDM4E (0.34) MAPTKDM4EALDH1A1LMNA
SCHEMBL16239852 0.81 SLC10A2 (0.39) SLC10A2SLC10A1SLC10A6MAPTGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2630124-B1 TETRAHYDROQUINOLINE DERIVATIVES USED AS AMPK ACTIVATORS HOFFMANN LA ROCHE (CH) 2014-11-19 EP claimed
US-8546427-B2 Tetrahydroquinoline derivatives HOFFMANN-LA ROCHE INC. (US) 2013-10-01 US claimed
EP-2630124-A1 TETRAHYDROQUINOLINE DERIVATIVES USED AS AMPK ACTIVATORS F.HOFFMANN-LA ROCHE AG (CH) 2013-08-28 EP claimed
US-20120101127-A1 NOVEL TETRAHYDROQUINOLINE DERIVATIVES HUA MEDICINE (KY) 2012-04-26 US claimed
WO-2012052372-A1 TETRAHYDROQUINOLINE DERIVATIVES USED AS AMPK ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2012-04-26 WO claimed
EP-2630124-B1 TETRAHYDROQUINOLINE DERIVATIVES USED AS AMPK ACTIVATORS HOFFMANN LA ROCHE (CH) 2014-11-19 EP disclosed
US-8546427-B2 Tetrahydroquinoline derivatives HOFFMANN-LA ROCHE INC. (US) 2013-10-01 US disclosed
US-8546427-B2 Tetrahydroquinoline derivatives HOFFMANN-LA ROCHE INC. (US) 2013-10-01 US disclosed
US-8546427-B2 Tetrahydroquinoline derivatives HOFFMANN-LA ROCHE INC. (US) 2013-10-01 US disclosed
EP-2630124-A1 TETRAHYDROQUINOLINE DERIVATIVES USED AS AMPK ACTIVATORS F.HOFFMANN-LA ROCHE AG (CH) 2013-08-28 EP disclosed
US-20120101127-A1 NOVEL TETRAHYDROQUINOLINE DERIVATIVES HUA MEDICINE (KY) 2012-04-26 US disclosed
US-20120101127-A1 NOVEL TETRAHYDROQUINOLINE DERIVATIVES HUA MEDICINE (KY) 2012-04-26 US disclosed
US-20120101127-A1 NOVEL TETRAHYDROQUINOLINE DERIVATIVES HUA MEDICINE (KY) 2012-04-26 US disclosed
WO-2012052372-A1 TETRAHYDROQUINOLINE DERIVATIVES USED AS AMPK ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2012-04-26 WO disclosed
WO-2012052372-A1 TETRAHYDROQUINOLINE DERIVATIVES USED AS AMPK ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2012-04-26 WO 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-20120101127-A1 NOVEL TETRAHYDROQUINOLINE DERIVATIVES PRKAG1, PRKAB1, PRKAG2 SLC10A2 3281/4885SLC10A1 1519/4885SLC10A6 4292/4885

“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.