SCHEMBL582153

SCHEMBL582153

COCc1ccc(NC(C)(C)C(=O)OC)cc1F

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RET P07949 5/20 0.44
EPHX2 P34913 2/20 0.36
POLB P06746 1/20 0.36
MAOB P27338 1/20 0.35
ALDH1A1 P00352 1/20 0.34
PRKCE Q02156 1/20 0.33
FPR2 P25090 1/20 0.33
SCN9A Q15858 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
NR1H4 Q96RI1 1/20 0.33

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
SCHEMBL582370 0.89 RET (0.44) RETEPHX2POLBMAOBALDH1A1
SCHEMBL20046088 0.81 CA2 (0.39) EPHX2POLBALDH1A1FPR2SCN9A
SCHEMBL24965982 0.77 EPHX2 (0.41) EPHX2NR1H4
SCHEMBL10020940 0.77 MAOB (0.39) MAOBFPR2SCN9A
SCHEMBL29563554 0.77 KDM4E (0.40) ALDH1A1HPGD
SCHEMBL17658331 0.77 KDM4E (0.40) ALDH1A1HPGD
SCHEMBL21996111 0.77 LMNA (0.42) POLBALDH1A1TSHR
SCHEMBL190082 0.76 DGAT1 (0.44) FPR2SCN9A
SCHEMBL12321278 0.76 NPC1 (0.39) FPR2SCN9AHPGDTSHR
SCHEMBL29644326 0.75 GAA (0.44) EPHX2ALDH1A1NR1H4

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 RET 156/4885EPHX2 1111/4885POLB 4846/4885

“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.