SCHEMBL2136301

SCHEMBL2136301

CC1(C)CC(c2ccccc2NS(=O)(=O)c2ccccc2)Nc2ccc(Cl)cc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ERBB2 P04626 1/20 0.43
▸ HSP90AA1 P07900 1/20 0.43
▸ HSP90AB1 P08238 1/20 0.43
▸ ALDH1A1 P00352 2/20 0.39
▸ CCR2 P41597 4/20 0.37
▸ POLB P06746 2/20 0.37
▸ CCR1 P32246 1/20 0.37
▸ SLC40A1 Q9NP59 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ PRKAB2 O43741 1/20 0.36
▸ PRKAG1 P54619 1/20 0.36
▸ PRKAA2 P54646 1/20 0.36
▸ PRKAA1 Q13131 1/20 0.36
▸ PRKAG3 Q9UGI9 1/20 0.36
▸ PRKAG2 Q9UGJ0 1/20 0.36
▸ PRKAB1 Q9Y478 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ HPGD P15428 1/20 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
SCHEMBL2139003 0.92 KMT2A (0.44) ALDH1A1CCR2POLBLMNAHTT
SCHEMBL2138437 0.91 CCR1 (0.41) CCR2POLBCCR1SLC40A1PRKAB2
SCHEMBL2138380 0.90 SLC40A1 (0.40) SLC40A1
SCHEMBL2135133 0.89 METAP2 (0.42) ALDH1A1POLBSLC40A1LMNAMCOLN2
SCHEMBL2134874 0.89 HTT (0.37) ALDH1A1CCR2LMNAHTTPRKAB2
SCHEMBL2133143 0.87 MRGPRX1 (0.39) LMNAHTTPRKAB2PRKAG1PRKAA2
SCHEMBL2133452 0.86 CCR2 (0.39) ALDH1A1CCR2SLC40A1LMNAPRKAB2
SCHEMBL2136642 0.86 PRKAB2 (0.41) ALDH1A1POLBLMNAHTTPRKAB2
SCHEMBL2133078 0.85 PDGFRB (0.40) ALDH1A1CCR2SLC40A1MCOLN2MCOLN3
SCHEMBL2615620 0.85 MCOLN2 (0.34) ALDH1A1POLBSLC40A1MEN1GAA

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 ERBB2 1480/4885HSP90AA1 1123/4885HSP90AB1 1095/4885

“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.

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