SCHEMBL1594437

SCHEMBL1594437

C[C@@H](c1ccc(C(F)(F)F)cc1)C1COSN1C(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.39
NR1H3 Q13133 1/20 0.39
MAPT P10636 2/20 0.39
MMP13 P45452 1/20 0.37
GPR119 Q8TDV5 2/20 0.37
TACR1 P25103 6/20 0.36
RORC P51449 1/20 0.36
POLB P06746 1/20 0.36
P2RY14 Q15391 1/20 0.35
AKR1C3 P42330 1/20 0.35
AKR1C2 P52895 1/20 0.35
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
RAB9A P51151 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
TEAD1 P28347 3/20 0.34

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
SCHEMBL1595315 1.00 NR1H2 (0.39) NR1H2NR1H3MAPTMMP13GPR119
SCHEMBL1594933 0.85 TEAD1 (0.39) AKR1C3AKR1C2TEAD1
SCHEMBL12056443 0.78 NR1H2 (0.39) NR1H2NR1H3MAPTMMP13GPR119
SCHEMBL3638827 0.77 MAPT (0.40) NR1H2NR1H3MAPTMMP13GPR119
SCHEMBL9922013 0.77 NR1H2 (0.39) NR1H2NR1H3MAPTMMP13GPR119
SCHEMBL1743663 0.77 NR1H2 (0.39) NR1H2NR1H3MAPTMMP13GPR119
SCHEMBL12241626 0.77 NR1H2 (0.39) NR1H2NR1H3MAPTMMP13GPR119
SCHEMBL30400929 0.77 USP2 (0.34) NR1H2
SCHEMBL4298384 0.76 CETP (0.41) MAPTGPR119TACR1RORCPOLB
SCHEMBL4298380 0.76 CETP (0.41) MAPTGPR119TACR1RORCPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1981884-B1 THIAZOLE COMPOUNDS AS PROTEIN KINASE B (PKB) INHIBITORS AMGEN INC (US) 2012-06-13 EP disclosed
US-8084479-B2 Thiazole compounds and methods of use AMGEN INC. (US) 2011-12-27 US disclosed
EP-2387570-A1 FLUOROISOQUINOLINE SUBSTITUTED THIAZOLE COMPOUNDS AND METHODS OF USE Amgen, Inc (US) 2011-11-23 EP disclosed
US-20110263647-A1 FLUOROISOQUINOLINE SUBSTITUTED THIAZOLE COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2011-10-27 US disclosed
US-7919504-B2 Thiadiazole modulators of PKB AMGEN INC. (US) 2011-04-05 US disclosed
WO-2010083246-A1 FLUOROISOQUINOLINE SUBSTITUTED THIAZOLE COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2010-07-22 WO disclosed
EP-2167504-A2 THIADIAZOLE MODULATORS OF PKB Amgen, Inc (US) 2010-03-31 EP disclosed
US-20090298836-A1 Thiadiazole modulators of PKB AMGEN INC. (US) 2009-12-03 US disclosed
US-20090270445-A1 Thiazole compounds and methods of use AMGEN INC. (US) 2009-10-29 US disclosed
US-7514566-B2 Thiazole compounds and methods of use AMGEN, INC. (US) 2009-04-07 US disclosed
WO-2009011871-A2 THIADIAZOLE MODULATORS OF PKB AMGEN INC. (US) 2009-01-22 WO disclosed
EP-1981884-A2 THIAZOLE COMPOUNDS AS PROTEIN KINASE B (PKB) INHIBITORS Amgen, Inc (US) 2008-10-22 EP disclosed
WO-2007084391-A2 THIAZOLE COMPOUNDS AS PROTEIN KINASE B ( PKB) INHIBITORS AMGEN INC. (US) 2007-07-26 WO disclosed
US-20070173506-A1 Thiazole compounds and methods of use AMGEN INC. (US) 2007-07-26 US 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-20110263647-A1 FLUOROISOQUINOLINE SUBSTITUTED THIAZOLE COMPOUNDS AND METHODS OF USE TFEB, PCK2, JAK2 NR1H2 895/4885NR1H3 1119/4885MAPT 2794/4885
US-20090298836-A1 Thiadiazole modulators of PKB PDK1, PDK2, MTOR NR1H2 1394/4885NR1H3 1644/4885MAPT 3612/4885
US-20090270445-A1 Thiazole compounds and methods of use MTOR, JAK2, TK2 NR1H2 923/4885NR1H3 1171/4885MAPT 2665/4885
US-20070173506-A1 Thiazole compounds and methods of use MTOR, JAK2, PCK2 NR1H2 947/4885NR1H3 1250/4885MAPT 2718/4885

“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.