SCHEMBL582280

SCHEMBL582280

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.47
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.44
RECQL P46063 1/20 0.44
HDAC6 Q9UBN7 1/20 0.43
CRBN Q96SW2 2/20 0.43
NR5A2 O00482 1/20 0.43
NR5A1 Q13285 1/20 0.43
ESRRG P62508 1/20 0.42
HPGD P15428 1/20 0.42
BCL2 P10415 1/20 0.41
MCL1 Q07820 1/20 0.41
TMEM97 Q5BJF2 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
ALOX5 P09917 1/20 0.41
PTGS2 P35354 1/20 0.41
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
ALOX15 P16050 1/20 0.40

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
SCHEMBL582255 0.93 POLB (0.44) RECQLHDAC6CRBNESRRGHPGD
SCHEMBL581979 0.88 TSHR (0.45) TSHRHTTSMN1; SMN2RECQLHDAC6
SCHEMBL1646774 0.82 GAA (0.47) HTTSMN1; SMN2HDAC1
SCHEMBL582948 0.81 POLB (0.43) RECQLHDAC6CRBNESRRGHPGD
Hydrochloric Acid SCHEMBL16823543 0.80 GAA (0.46) HTTSMN1; SMN2HDAC1
SCHEMBL581314 0.79 POLB (0.47) HTTSMN1; SMN2HPGDHDAC1
SCHEMBL2407352 0.79 EPHX2 (0.44) HDAC1
SCHEMBL28545376 0.78 AR (0.39) SMN1; SMN2ESRRGHDAC1
SCHEMBL10020939 0.77 AR (0.42) SMN1; SMN2HDAC1
SCHEMBL21210764 0.77 HTT (0.58) TSHRHTTSMN1; SMN2HPGDHDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9126962-B2 Substituted phenylcarbamoyl alkylamino arene compounds and N,N′-BIS-arylurea compounds MEDIVATION TECHNOLOGIES, INC. (US) 2015-09-08 US disclosed
US-9126962-B2 Substituted phenylcarbamoyl alkylamino arene compounds and N,N′-BIS-arylurea compounds MEDIVATION TECHNOLOGIES, INC. (US) 2015-09-08 US disclosed
US-9023869-B2 Substituted phenylcarbamoyl alkylamino arene compounds and N,N'-BIS-arylurea compounds MEDIVATION TECHNOLOGIES, INC. (US) 2015-05-05 US disclosed
US-9023869-B2 Substituted phenylcarbamoyl alkylamino arene compounds and N,N'-BIS-arylurea compounds MEDIVATION TECHNOLOGIES, INC. (US) 2015-05-05 US disclosed
US-20150031726-A1 Substituted Phenylcarbamoyl Alkylamino Arene Compounds and N,N'-BIS-Arylurea Compounds MEDIVATION TECHNOLOGIES LLC 2015-01-29 US disclosed
US-20150031726-A1 Substituted Phenylcarbamoyl Alkylamino Arene Compounds and N,N'-BIS-Arylurea Compounds MEDIVATION TECHNOLOGIES LLC 2015-01-29 US disclosed
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-20130079372-A1 Substituted Phenylcarbamoyl Alkylamino Arene Compounds and N,N'-BIS-Arylurea Compounds MEDIVATION TECHNOLOGIES, INC. (US) 2013-03-28 US disclosed
US-20130079372-A1 Substituted Phenylcarbamoyl Alkylamino Arene Compounds and N,N'-BIS-Arylurea Compounds MEDIVATION TECHNOLOGIES, INC. (US) 2013-03-28 US disclosed
EP-2485804-A1 SUBSTITUTED PHENYLCARBAMOYL ALKYLAMINO ARENE COMPOUNDS AND N,N'-BIS-ARYLUREA COMPOUNDS Medivation Prostate Therapeutics, Inc. (US) 2012-08-15 EP 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-2011044327-A1 SUBSTITUTED PHENYLCARBAMOYL ALKYLAMINO ARENE COMPOUNDS AND N,N'-BIS-ARYLUREA COMPOUNDS MEDIVATION PROSTATE THERAPEUTICS, INC. (US) 2011-04-14 WO disclosed
WO-2011044327-A1 SUBSTITUTED PHENYLCARBAMOYL ALKYLAMINO ARENE COMPOUNDS AND N,N'-BIS-ARYLUREA COMPOUNDS MEDIVATION PROSTATE THERAPEUTICS, INC. (US) 2011-04-14 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 (3 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 1889/4885SMN1; SMN2 4878/4885
US-20130079372-A1 Substituted Phenylcarbamoyl Alkylamino Arene Compounds and N,N'-BIS-Arylurea Compounds AR, NAT1, NCOA1 TSHR 227/4885HTT 398/4885SMN1; SMN2 4741/4885
US-20150031726-A1 Substituted Phenylcarbamoyl Alkylamino Arene Compounds and N,N'-BIS-Arylurea Compounds AR, NAT1, NCOA1 TSHR 227/4885HTT 398/4885SMN1; SMN2 4741/4885

“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.