SCHEMBL2172647

SCHEMBL2172647

COC(=O)c1ccc(C=C2SC(=O)N(CC3(C)CCCCC3)C2=O)cc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PIM1 P11309 1/20 0.53
▸ AURKA O14965 1/20 0.52
▸ MTOR P42345 1/20 0.52
▸ PPARG P37231 4/20 0.50
▸ AKR1B1 P15121 2/20 0.50
▸ PRKAG1 P54619 1/20 0.49
▸ PRKAA1 Q13131 1/20 0.49
▸ PRKAB1 Q9Y478 1/20 0.49
▸ CA9 Q16790 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ ENPP2 Q13822 2/20 0.47
▸ CACNA1B Q00975 1/20 0.45
▸ APBA1 Q02410 1/20 0.45
▸ S1PR1 P21453 1/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ PTPN7 P35236 1/20 0.44
▸ PTPN1 P18031 1/20 0.43
▸ ACP1 P24666 1/20 0.43

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
SCHEMBL2172644 1.00 PIM1 (0.53) PIM1AURKAMTORPPARGAKR1B1
SCHEMBL2172778 0.88 PTPN1 (0.56) AURKAMTORAKR1B1PRKAG1PRKAA1
SCHEMBL2172773 0.88 PTPN1 (0.56) AURKAMTORAKR1B1PRKAG1PRKAA1
SCHEMBL4395910 0.87 AURKA (0.51) AURKAMTORPPARGAKR1B1PRKAG1
SCHEMBL2170996 0.85 AKR1B1 (0.57) AURKAMTORPPARGAKR1B1PRKAG1
SCHEMBL2170994 0.85 AKR1B1 (0.57) AURKAMTORPPARGAKR1B1PRKAG1
SCHEMBL2171996 0.83 AURKA (0.55) AURKAMTORPPARGAKR1B1PRKAG1
SCHEMBL2172001 0.83 AURKA (0.55) AURKAMTORPPARGAKR1B1PRKAG1
Cyclohexane SCHEMBL15204208 0.83 AURKA (0.59) AURKAMTORPPARGAKR1B1PRKAG1
SCHEMBL2174408 0.83 AURKA (0.56) AURKAMTORPPARGAKR1B1PRKAG1

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 6 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
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-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 PIM1 4023/4885AURKA 1403/4885MTOR 3342/4885

“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.

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