SCHEMBL581979

SCHEMBL581979

CCCCNC(=O)c1ccc(NC(C)(C)C(=O)OC)cc1F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.45
HTT P42858 1/20 0.45
HDAC6 Q9UBN7 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
RECQL P46063 1/20 0.42
CRBN Q96SW2 2/20 0.41
NR5A2 O00482 1/20 0.41
NR5A1 Q13285 1/20 0.41
ESRRG P62508 1/20 0.41
HPGD P15428 1/20 0.40
PDE10A Q9Y233 1/20 0.39
HTR2A P28223 1/20 0.39
ALOX5 P09917 1/20 0.39
PTGS2 P35354 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 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
SCHEMBL582948 0.93 POLB (0.43) HDAC6RECQLCRBNESRRGHPGD
SCHEMBL582280 0.88 TSHR (0.47) TSHRHTTHDAC6SMN1; SMN2RECQL
SCHEMBL29644326 0.81 GAA (0.44) HTTSMN1; SMN2HDAC1
SCHEMBL2411518 0.81 GAA (0.44) HTTSMN1; SMN2HDAC1
SCHEMBL582255 0.81 POLB (0.44) HDAC6RECQLCRBNESRRGHPGD
SCHEMBL582706 0.80 POLB (0.44) HTTSMN1; SMN2HDAC1
SCHEMBL24965982 0.79 EPHX2 (0.41)
SCHEMBL29563554 0.79 KDM4E (0.40) SMN1; SMN2HPGDCA12CA1CA2
SCHEMBL10020940 0.79 MAOB (0.39) HDAC1
SCHEMBL17658331 0.79 KDM4E (0.40) SMN1; SMN2HPGDCA12CA1CA2

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 TSHR 949/4885HTT 1889/4885HDAC6 1206/4885

“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.