SCHEMBL2002399

SCHEMBL2002399

CC(C)(C)OC(=O)Nc1cc(S(C)(=O)=O)ccc1Cl

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.60
MAPT P10636 2/20 0.60
NPC1 O15118 2/20 0.55
RAB9A P51151 1/20 0.55
GAA P10253 3/20 0.52
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
PDK1 Q15118 1/20 0.48
PDK2 Q15119 1/20 0.48
PDK3 Q15120 1/20 0.48
PDK4 Q16654 1/20 0.48
LMNA P02545 4/20 0.47
HTT P42858 1/20 0.46
POLB P06746 2/20 0.45
HSP90AA1 P07900 1/20 0.45
HSP90AB1 P08238 1/20 0.45
KDM4E B2RXH2 1/20 0.44

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
SCHEMBL29812028 0.89 PDK1 (0.61) ALDH1A1MAPTNPC1RAB9APDK1
SCHEMBL23155592 0.89 PDK1 (0.61) ALDH1A1MAPTNPC1RAB9APDK1
SCHEMBL1186039 0.88 CA1 (0.51) ALDH1A1MAPTKMT2AMEN1LMNA
SCHEMBL1007951 0.83 GPR119 (0.49) ALDH1A1MAPTNPC1RAB9AKMT2A
SCHEMBL31363722 0.82 MMP1 (0.52) ALDH1A1MAPTGAAKMT2AMEN1
SCHEMBL26376249 0.82 GPR119 (0.45) ALDH1A1MAPTKMT2AMEN1PDK1
SCHEMBL27713880 0.81 ALDH1A1 (0.44) ALDH1A1MAPTGAAKMT2AMEN1
SCHEMBL28738831 0.81 PDK1 (0.56) ALDH1A1MAPTRAB9AGAAKMT2A
SCHEMBL6856839 0.81 PDK1 (0.58) ALDH1A1MAPTNPC1RAB9APDK1
SCHEMBL29430876 0.81 NPC1 (0.47) ALDH1A1MAPTNPC1PDK1PDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7960408-B2 Quinolinyl and benzothiazolyl modulators AMGEN INC. (US) 2011-06-14 US disclosed
US-7960408-B2 Quinolinyl and benzothiazolyl modulators AMGEN INC. (US) 2011-06-14 US disclosed
US-7601841-B2 Quinolinyl and benzothiazolyl modulators AMGEN INC. (US) 2009-10-13 US disclosed
US-7601841-B2 Quinolinyl and benzothiazolyl modulators AMGEN INC. (US) 2009-10-13 US disclosed
US-20090221635-A1 QUINOLINYL AND BENZOTHIAZOLYL MODULATORS AMGEN INC. (US) 2009-09-03 US disclosed
US-20090221635-A1 QUINOLINYL AND BENZOTHIAZOLYL MODULATORS AMGEN INC. (US) 2009-09-03 US disclosed
EP-1296967-B1 BENZOTHIAZOLYL PPAR-GAMMA MODULATORS AMGEN INC (US) 2006-05-31 EP disclosed
US-20040176409-A1 Quinolinyl and benzothiazolyl modulators TULARIK INC 2004-09-09 US disclosed
US-20030171399-A1 Quinolinyl and benzothiazolyl modulators TULARIK INC. 2003-09-11 US disclosed
US-6583157-B2 Peroxisome proliferator-activated receptors antagonists; antiinflammatory agents and treating metabolic disorders TULARIK INC. 2003-06-24 US disclosed
EP-1296967-A1 QUINOLINYL AND BENZOTHIAZOLYL PPAR-GAMMA MODULATORS Tularik Inc. (US) 2003-04-02 EP disclosed
US-20020169185-A1 QUINOLINYL AND BENZOTHIAZOLYL MODULATORS AMGEN INC. 2002-11-14 US disclosed
WO-2002000633-A1 QUINOLINYL AND BENZOTHIAZOLYL PPAR-GAMMA MODULATORS TULARIK INC. (US) 2002-01-03 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 (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-20040176409-A1 Quinolinyl and benzothiazolyl modulators PPARA, PPARG, PPARD ALDH1A1 3157/4885MAPT 3145/4885NPC1 697/4885
US-20030171399-A1 Quinolinyl and benzothiazolyl modulators PPARA, PPARG, PPARD ALDH1A1 3157/4885MAPT 3145/4885NPC1 697/4885
US-20020169185-A1 QUINOLINYL AND BENZOTHIAZOLYL MODULATORS PPARA, PPARG, PPARD ALDH1A1 3157/4885MAPT 3145/4885NPC1 697/4885
US-20090221635-A1 QUINOLINYL AND BENZOTHIAZOLYL MODULATORS PPARG, PPARA, PPARD ALDH1A1 3192/4885MAPT 3019/4885NPC1 551/4885

“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.