Sugi Predict

Sugi Predict / Compounds / SCHEMBL2176644

SCHEMBL2176644

SCHEMBL2176644

COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccc(C=C2SC(=O)N(C(C)C3CCCCC3)C2=O)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 1/20 0.44
▸ MTOR P42345 1/20 0.44
▸ ALPL P05186 2/20 0.43
▸ PRKAG1 P54619 1/20 0.42
▸ PRKAA1 Q13131 1/20 0.42
▸ PRKAB1 Q9Y478 1/20 0.42
▸ IDH1 O75874 1/20 0.40
▸ MAPT P10636 4/20 0.38
▸ MEN1 O00255 4/20 0.38
▸ KMT2A Q03164 4/20 0.38
▸ ALDH1A1 P00352 4/20 0.37
▸ SMN1; SMN2 Q16637 3/20 0.37
▸ MCL1 Q07820 2/20 0.37
▸ NPSR1 Q6W5P4 2/20 0.37
▸ LMNA P02545 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ GFER P55789 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ CYP19A1 P11511 2/20 0.37
▸ ENPP2 Q13822 1/20 0.36

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
SCHEMBL2788680 1.00 AURKA (0.44) AURKAMTORALPLPRKAG1PRKAA1
SCHEMBL1614599 0.87 AURKA (0.50) AURKAMTORPRKAG1PRKAA1PRKAB1
SCHEMBL1670279 0.87 AURKA (0.50) AURKAMTORPRKAG1PRKAA1PRKAB1
SCHEMBL2173043 0.84 ALDH1A1 (0.48) AURKAMTORPRKAG1PRKAA1PRKAB1
SCHEMBL2785723 0.84 ALDH1A1 (0.48) AURKAMTORPRKAG1PRKAA1PRKAB1
SCHEMBL2172941 0.84 AURKA (0.47) AURKAMTORPRKAG1PRKAA1PRKAB1
SCHEMBL2788140 0.84 AURKA (0.47) AURKAMTORPRKAG1PRKAA1PRKAB1
SCHEMBL2786438 0.81 AKR1B1 (0.49) MAPTALDH1A1MCL1LMNAHPGD
SCHEMBL2172989 0.81 AKR1B1 (0.49) MAPTALDH1A1MCL1LMNAHPGD
SCHEMBL1614322 0.81 MAPT (0.47) AURKAMTORMAPTMEN1KMT2A

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 8 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-7973062-B2 Androgen receptor-ablative agents THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2011-07-05 — — US claimed
EP-2254576-A1 ANDROGEN RECEPTOT-ABLATIVE AGENTS The Ohio State University Research Foundation (US) 2010-12-01 — — EP claimed
US-20090291992-A1 ANDROGEN RECEPTOR-ABLATIVE AGENTS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2009-11-26 — — US claimed
WO-2009105621-A1 ANDROGEN RECEPTOT-ABLATIVE AGENTS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2009-08-27 — — WO claimed
EP-2254576-B1 ANDROGEN RECEPTOR-ABLATIVE AGENTS UNIV OHIO STATE RES FOUND (US) 2013-08-28 — — EP disclosed
US-7973062-B2 Androgen receptor-ablative agents THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2011-07-05 — — 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 (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-20090291992-A1 ANDROGEN RECEPTOR-ABLATIVE AGENTS AR, ESRRB, KLK3 AURKA 1403/4885MTOR 3342/4885ALPL 2703/4885

“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.