SCHEMBL582706

SCHEMBL582706

COC(=O)C(C)(C)Nc1ccc(C(=O)NC(C)(C)C)c(F)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.44
APEX1 P27695 1/20 0.44
GAA P10253 2/20 0.39
CYP3A4 P08684 1/20 0.39
MAPT P10636 1/20 0.39
CYP2C9 P11712 1/20 0.39
ALOX12 P18054 1/20 0.39
CYP2C19 P33261 1/20 0.39
ANO1 Q5XXA6 1/20 0.38
HTT P42858 1/20 0.38
AXL P30530 1/20 0.38
HDAC1 Q13547 2/20 0.37
SNCA P37840 1/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
IMPDH2 P12268 1/20 0.35
IMPDH1 P20839 1/20 0.35
ABCC9 O60706 1/20 0.35
ABCC8 Q09428 1/20 0.35
KCNJ11 Q14654 1/20 0.35

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
SCHEMBL29644326 0.88 GAA (0.44) GAACYP3A4MAPTCYP2C9ALOX12
SCHEMBL2411518 0.88 GAA (0.44) GAACYP3A4MAPTCYP2C9ALOX12
SCHEMBL581314 0.86 POLB (0.47) POLBAPEX1GAAANO1HTT
SCHEMBL10020940 0.85 MAOB (0.39) HDAC1MAOAMAOBABCC9ABCC8
SCHEMBL29563554 0.85 KDM4E (0.40) GAAMAPTABCC9ABCC8KCNJ11
SCHEMBL24965982 0.85 EPHX2 (0.41) ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL17658331 0.85 KDM4E (0.40) GAAMAPTABCC9ABCC8KCNJ11
SCHEMBL28549820 0.84 HDAC1 (0.36) GAACYP3A4MAPTCYP2C9ALOX12
SCHEMBL190082 0.83 DGAT1 (0.44) HDAC1ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL582948 0.82 POLB (0.43) POLBALDH1A1KMT2ACNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8710086-B2 Substituted di-arylhydantoin and di-arylthiohydantoin compounds and methods of use thereof MEDIVATION TECHNOLOGIES, INC. (US) 2014-04-29 US disclosed
US-20120184580-A1 SUBSTITUTED DI-ARYLHYDANTOIN AND DI-ARYLTHIOHYDANTOIN COMPOUNDS AND METHODS OF USE THEREOF MEDIVATION PROSTATE THERAPEUTICS, INC. (US) 2012-07-19 US disclosed
US-20120184580-A1 SUBSTITUTED DI-ARYLHYDANTOIN AND DI-ARYLTHIOHYDANTOIN COMPOUNDS AND METHODS OF USE THEREOF MEDIVATION PROSTATE THERAPEUTICS, INC. (US) 2012-07-19 US disclosed
US-20120184580-A1 SUBSTITUTED DI-ARYLHYDANTOIN AND DI-ARYLTHIOHYDANTOIN COMPOUNDS AND METHODS OF USE THEREOF MEDIVATION PROSTATE THERAPEUTICS, INC. (US) 2012-07-19 US disclosed
EP-2416657-A1 SUBSTITUTED DI-ARYLHYDANTOIN AND DI-ARYLTHIOHYDANTOIN COMPOUNDS AND METHODS FOR USE THEREOF Medivation Prostate Therapeutics, Inc. (US) 2012-02-15 EP disclosed
WO-2010118354-A1 SUBSTITUTED DI-ARYLHYDANTOIN AND DI-ARYLTHIOHYDANTOIN COMPOUNDS AND METHODS FOR USE THEREOF MEDIVATION PROSTATE THERAPEUTICS, INC. (US) 2010-10-14 WO disclosed
WO-2010118354-A1 SUBSTITUTED DI-ARYLHYDANTOIN AND DI-ARYLTHIOHYDANTOIN COMPOUNDS AND METHODS FOR USE THEREOF MEDIVATION PROSTATE THERAPEUTICS, INC. (US) 2010-10-14 WO 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-20120184580-A1 SUBSTITUTED DI-ARYLHYDANTOIN AND DI-ARYLTHIOHYDANTOIN COMPOUNDS AND METHODS OF USE THEREOF AR, BRDT, AADAC POLB 4846/4885APEX1 3334/4885GAA 4789/4885

“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.