SCHEMBL1595086

SCHEMBL1595086

C[C@H](O)C=Cc1ccc(C(F)(F)F)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.52
PTGS1 P23219 1/20 0.50
NQO2 P16083 1/20 0.49
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
HDAC3 O15379 1/20 0.47
ADAM17 P78536 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC10 Q969S8 1/20 0.47
HDAC11 Q96DB2 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
HDAC5 Q9UQL6 1/20 0.47
AHR P35869 1/20 0.46
CYP1A1 P04798 4/20 0.45
CYP1B1 Q16678 4/20 0.45
FBP1 P09467 1/20 0.44
P4HB P07237 1/20 0.42
MAOB P27338 2/20 0.42

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
SCHEMBL1744261 1.00 CYP1A2 (0.52) CYP1A2PTGS1NQO2CA1CA2
SCHEMBL1595084 1.00 CYP1A2 (0.52) CYP1A2PTGS1NQO2CA1CA2
SCHEMBL1744263 1.00 CYP1A2 (0.52) CYP1A2PTGS1NQO2CA1CA2
SCHEMBL1595082 1.00 CYP1A2 (0.52) CYP1A2PTGS1NQO2CA1CA2
SCHEMBL1742683 0.87 CYP1A2 (0.57) CYP1A2HDAC3ADAM17HDAC1HDAC2
SCHEMBL24740553 0.84 CYP1A2 (0.55) CYP1A2PTGS1NQO2CA1CA2
SCHEMBL12650395 0.84 CYP1A2 (0.50) CYP1A2PTGS1NQO2CA1CA2
SCHEMBL9967716 0.84 CYP1A2 (0.50) CYP1A2PTGS1NQO2CA1CA2
SCHEMBL9059052 0.81 CYP1A2 (0.47) CYP1A2PTGS1NQO2CA1CA2
SCHEMBL24434695 0.81 CYP1A2 (0.47) CYP1A2PTGS1NQO2CA1CA2

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 CYP1A2 2590/4885PTGS1 402/4885NQO2 662/4885
US-20090298836-A1 Thiadiazole modulators of PKB PDK1, PDK2, MTOR CYP1A2 1923/4885PTGS1 365/4885NQO2 1295/4885
US-20090270445-A1 Thiazole compounds and methods of use MTOR, JAK2, TK2 CYP1A2 2492/4885PTGS1 694/4885NQO2 1023/4885
US-20070173506-A1 Thiazole compounds and methods of use MTOR, JAK2, PCK2 CYP1A2 2229/4885PTGS1 301/4885NQO2 1128/4885

“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.