SCHEMBL2135133

SCHEMBL2135133

Cc1ccc2c(c1)C(C)(C)CC(c1ccccc1NS(=O)(=O)c1ccccc1)N2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 1/20 0.42
LMNA P02545 3/20 0.39
ALDH1A1 P00352 3/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
USP2 O75604 1/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
NOD2 Q9HC29 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CA2 P00918 2/20 0.39
CA9 Q16790 2/20 0.39
MCOLN3 Q8TDD5 2/20 0.39
CA12 O43570 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
TSHR P16473 1/20 0.38
SLC40A1 Q9NP59 2/20 0.37
MCL1 Q07820 1/20 0.37
FFAR4 Q5NUL3 1/20 0.37
PKM P14618 2/20 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
SCHEMBL2135449 0.90 SLC10A2 (0.46) LMNAALDH1A1USP2MAPTSMN1; SMN2
SCHEMBL2136301 0.89 ERBB2 (0.43) LMNAALDH1A1POLBMCOLN3SLC40A1
SCHEMBL2135562 0.88 KDM4E (0.34) LMNAALDH1A1CYP2C9CYP2C19MAPT
SCHEMBL2136642 0.87 PRKAB2 (0.41) METAP2LMNAALDH1A1CYP2C9CYP2C19
SCHEMBL2615620 0.86 MCOLN2 (0.34) METAP2ALDH1A1POLBMCOLN3SMN1; SMN2
SCHEMBL2135223 0.86 LMNA (0.42) LMNAALDH1A1MAPTSLC40A1PKM
SCHEMBL2133078 0.86 PDGFRB (0.40) ALDH1A1MAPTMCOLN3SMN1; SMN2SLC40A1
SCHEMBL2615618 0.84 SNCA (0.35) ALDH1A1MCOLN3SMN1; SMN2SLC40A1MCOLN2
SCHEMBL16239528 0.84 ACHE (0.41) CYP2C9MCOLN3MCL1MCOLN2MCOLN1
SCHEMBL2136580 0.83 KMT2A (0.48) LMNAALDH1A1CYP2C9CYP2C19MAPT

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 16 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
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 METAP2 4076/4885LMNA 3389/4885ALDH1A1 624/4885

“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.