SCHEMBL1615003

SCHEMBL1615003

CC1(CN2C(=O)SC(=Cc3ccc(NS(=O)(=O)c4ccc([N+](=O)[O-])c(C(F)(F)F)c4)cc3)C2=O)CCCCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKAG1 P54619 1/20 1.00
PRKAA1 Q13131 1/20 1.00
PRKAB1 Q9Y478 1/20 1.00
AURKA O14965 1/20 0.81
MTOR P42345 1/20 0.81
SLC2A1 P11166 2/20 0.39
MAPT P10636 6/20 0.39
MEN1 O00255 6/20 0.39
ALDH1A1 P00352 6/20 0.39
KMT2A Q03164 6/20 0.39
TDP1 Q9NUW8 4/20 0.39
LMNA P02545 3/20 0.39
POLB P06746 3/20 0.39
BLM P54132 3/20 0.39
KDM4E B2RXH2 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
PKM P14618 2/20 0.39
THRB P10828 1/20 0.39
APEX1 P27695 1/20 0.39
RECQL P46063 1/20 0.39

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
SCHEMBL29434995 1.00 PRKAG1 (1.00) PRKAG1PRKAA1PRKAB1AURKAMTOR
SCHEMBL1615001 1.00 PRKAG1 (1.00) PRKAG1PRKAA1PRKAB1AURKAMTOR
SCHEMBL1672813 0.91 PRKAG1 (0.84) PRKAG1PRKAA1PRKAB1AURKAMTOR
SCHEMBL1672814 0.91 PRKAG1 (0.84) PRKAG1PRKAA1PRKAB1AURKAMTOR
SCHEMBL12712488 0.89 AURKA (1.00) PRKAG1PRKAA1PRKAB1AURKAMTOR
SCHEMBL2172868 0.87 AURKA (0.81) PRKAG1PRKAA1PRKAB1AURKAMTOR
SCHEMBL2172870 0.87 AURKA (0.81) PRKAG1PRKAA1PRKAB1AURKAMTOR
SCHEMBL1614596 0.86 AURKA (0.79) PRKAG1PRKAA1PRKAB1AURKAMTOR
SCHEMBL1614597 0.86 AURKA (0.79) PRKAG1PRKAA1PRKAB1AURKAMTOR
SCHEMBL2172933 0.83 AURKA (0.75) PRKAG1PRKAA1PRKAB1AURKAMTOR

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-2254576-B1 ANDROGEN RECEPTOR-ABLATIVE AGENTS UNIV OHIO STATE RES FOUND (US) 2013-08-28 EP claimed
US-8383656-B2 Thiazolidinedione energy restriction-mimetic agents THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2013-02-26 US claimed
EP-2488027-A1 THIAZOLIDINEDIONE ENERGY RESTRICTION-MIMETIC AGENTS The Ohio State University Research Foundation (US) 2012-08-22 EP claimed
US-7973062-B2 Androgen receptor-ablative agents THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2011-07-05 US claimed
WO-2011044548-A1 THIAZOLIDINEDIONE ENERGY RESTRICTION-MIMETIC AGENTS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2011-04-14 WO claimed
US-20110086895-A1 THIAZOLIDINEDIONE ENERGY RESTRICTION-MIMETIC AGENTS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2011-04-14 US claimed
US-20090291992-A1 ANDROGEN RECEPTOR-ABLATIVE AGENTS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2009-11-26 US claimed
EP-2254576-B1 ANDROGEN RECEPTOR-ABLATIVE AGENTS UNIV OHIO STATE RES FOUND (US) 2013-08-28 EP disclosed
US-8383656-B2 Thiazolidinedione energy restriction-mimetic agents THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2013-02-26 US disclosed
EP-2488027-A1 THIAZOLIDINEDIONE ENERGY RESTRICTION-MIMETIC AGENTS The Ohio State University Research Foundation (US) 2012-08-22 EP disclosed
US-7973062-B2 Androgen receptor-ablative agents THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2011-07-05 US disclosed
WO-2011044548-A1 THIAZOLIDINEDIONE ENERGY RESTRICTION-MIMETIC AGENTS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2011-04-14 WO disclosed
US-20110086895-A1 THIAZOLIDINEDIONE ENERGY RESTRICTION-MIMETIC AGENTS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2011-04-14 US disclosed
US-20090291992-A1 ANDROGEN RECEPTOR-ABLATIVE AGENTS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2009-11-26 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 (2 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-20110086895-A1 THIAZOLIDINEDIONE ENERGY RESTRICTION-MIMETIC AGENTS PCK2, AK2, SIRT6 PRKAG1 25/4885PRKAA1 65/4885PRKAB1 53/4885
US-20090291992-A1 ANDROGEN RECEPTOR-ABLATIVE AGENTS AR, ESRRB, KLK3 PRKAG1 330/4885PRKAA1 764/4885PRKAB1 406/4885

“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.