SCHEMBL2139003

SCHEMBL2139003

CC1(C)CC(c2ccccc2NS(=O)(=O)c2ccc(F)cc2)Nc2ccc(Cl)cc21

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
TSHR P16473 1/20 0.44
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40
ALDH1A1 P00352 2/20 0.39
CCR2 P41597 1/20 0.38
KEAP1 Q14145 1/20 0.38
NFE2L2 Q16236 1/20 0.38
MGAT2 Q10469 1/20 0.37
GAA P10253 1/20 0.37
POLB P06746 1/20 0.37

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
SCHEMBL2136301 0.92 ERBB2 (0.43) KMT2AMEN1LMNAHTTALDH1A1
SCHEMBL2138437 0.91 CCR1 (0.41) CCR2MGAT2POLB
SCHEMBL2137054 0.87 SLC40A1 (0.41) KMT2AMEN1TSHRLMNAMAPT
SCHEMBL2133452 0.87 CCR2 (0.39) TSHRLMNAALDH1A1CCR2
SCHEMBL2135937 0.86 SLC16A3 (0.44) KMT2AMEN1MAPTALDH1A1GAA
SCHEMBL2134874 0.85 HTT (0.37) KMT2AMEN1LMNATP53HTT
SCHEMBL2615617 0.85 STAT3 (0.39) KMT2AMEN1TSHRLMNAMAPT
SCHEMBL2138380 0.84 SLC40A1 (0.40)
SCHEMBL16239475 0.84 ALDH1A1 (0.39) KMT2AMEN1LMNAMAPTHTT
SCHEMBL2133143 0.83 MRGPRX1 (0.39) LMNATP53HTT

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 KMT2A 1455/4885MEN1 2624/4885TSHR 1744/4885

“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.