SCHEMBL219908

SCHEMBL219908

CCCCCN1CC(=O)N(CCCCC)C1=S

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 6/20 0.43
FAAH O00519 5/20 0.43
PTGS1 P23219 3/20 0.43
PTGS2 P35354 3/20 0.43
ALDH1A1 P00352 2/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
THRB P10828 1/20 0.38
GBA1 P04062 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CYP19A1 P11511 3/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
PLA2G2A P14555 2/20 0.35
ALDH2 P05091 1/20 0.35
ALDH3A1 P30838 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
SCHEMBL24131221 0.91 MGLL (0.42) MGLLFAAHPTGS1PTGS2ALDH1A1
SCHEMBL11690853 0.86 SMN1; SMN2 (0.40) MGLLFAAHPTGS1PTGS2ALDH1A1
SCHEMBL221915 0.81 MGLL (0.46) MGLLFAAHPTGS1PTGS2ALDH1A1
SCHEMBL9811510 0.81 MGLL (0.37) MGLLFAAHPTGS1PTGS2ALDH1A1
SCHEMBL8652814 0.79 MGLL (0.47) MGLLFAAHPTGS1PTGS2ALDH1A1
SCHEMBL8803997 0.78 PLA2G2A (0.47) MGLLFAAHPTGS1PTGS2ALDH1A1
SCHEMBL12101786 0.78 MGLL (0.46) MGLLFAAHPTGS1PTGS2ALDH1A1
SCHEMBL5570285 0.78 MGLL (0.50) MGLLFAAHPTGS1PTGS2ALDH1A1
SCHEMBL10816291 0.76 MGLL (0.40) MGLLFAAHPTGS1PTGS2ALDH1A1
SCHEMBL27596669 0.76 HDAC6 (0.41) MGLLFAAHPTGS1PTGS2ALDH1A1

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 299 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115403624-A Diaryl thiohydantoin compound and preparation method and application thereof 上海应用技术大学 2022-11-29 CN claimed
US-20220186227-A1 Therapeutic Targets for Oncogenic KRAS-Dependent Cancers UNIVERSITY OF MASSACHUSETTS 2022-06-16 US claimed
EP-3946629-A1 THERAPEUTIC TARGETS FOR ONCOGENIC KRAS-DEPENDENT CANCERS University Of Massachusetts (US) 2022-02-09 EP claimed
WO-2020198488-A1 THERAPEUTIC TARGETS FOR ONCOGENIC KRAS-DEPENDENT CANCERS UNIVERSITY OF MASSACHUSETTS (US) 2020-10-01 WO claimed
EP-3329775-A1 PROCESSES FOR THE SYNTHESIS OF DIARYLTHIOHYDANTOIN AND DIARYLHYDANTOIN COMPOUNDS Medivation Prostate Therapeutics LLC (US) 2018-06-06 EP claimed
EP-3020706-A1 DIARYLTHIOHYDANTOIN COMPOUNDS USEFUL FOR THE TREATMENT OF A HYPERPROLIFERATIVE DISORDER THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2016-05-18 EP claimed
US-9205102-B2 Method for treatment of castration-resistant prostate cancer THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2015-12-08 US claimed
US-9174943-B2 Processes for the synthesis of diarylthiohydantoin and diarylhydantoin compounds MEDIVATION PROSTATE THERAPEUTICS, INC. (US) 2015-11-03 US claimed
US-20150157656-A1 Method for Treatment of Castration-Resistant Prostate Cancer THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2015-06-11 US claimed
WO-2015042170-A1 COMPOSITIONS AND USES OF COMBINATIONS OF DIM-RELATED INDOLES AND SELECTED ANTI-ANDROGEN COMPOUNDS WAYNE STATE UNIVERSITY (US) 2015-03-26 WO claimed
US-20130190507-A1 PROCESSES FOR THE SYNTHESIS OF DIARYLTHIOHYDANTOIN AND DIARYLHYDANTOIN COMPOUNDS MEDIVATION PROSTATE THERAPEUTICS LLC 2013-07-25 US claimed
EP-2538785-A1 PROCESSES FOR THE SYNTHESIS OF DIARYLTHIOHYDANTOIN AND DIARYLHYDANTOIN COMPOUNDS Medivation Prostate Therapeutics, Inc. (US) 2013-01-02 EP claimed
US-8110594-B2 Diarylthiohydantoin compounds THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-02-07 US claimed
WO-2011106570-A1 PROCESSES FOR THE SYNTHESIS OF DIARYLTHIOHYDANTOIN AND DIARYLHYDANTOIN COMPOUNDS MEDIVATION PROSTATE THERAPEUTICS, INC. (US) 2011-09-01 WO claimed
CN-101460467-A Diarylthiohydantoin compounds UNIV CALIFORNIA (US) 2009-06-17 CN claimed
EP-2013187-A2 DIARYLTHIOHYDANTOIN COMPOUNDS The Regents of the University of California (US) 2009-01-14 EP claimed
US-20080139634-A2 Use against hormone refractory prostate cancer; 1-(3-trifluoromethyl-4-cyanophenyl)-2-thioxo-3-(substituted phenyl)-imidazolidin-5-one and spiro ring derivatives thereof; androgen receptor antagonists with minimal agonist activity REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2008-06-12 US claimed
WO-2007127010-A9 DIARYLTHIOHYDANTOIN COMPOUNDS UNIV CALIFORNIA (US) 2008-05-22 WO claimed
WO-2007127010-A2 DIARYLTHIOHYDANTOIN COMPOUNDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2007-11-08 WO claimed
US-20070254933-A1 Use against hormone refractory prostate cancer; 1-(3-trifluoromethyl-4-cyanophenyl)-2-thioxo-3-(substituted phenyl)-imidazolidin-5-one and spiro ring derivatives thereof; selective androgen receptor modulators; non-steroidal, non-toxic, and tissue selective REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2007-11-01 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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-20080139634-A2 Use against hormone refractory prostate cancer; 1-(3-trifluoromethyl-4-cyanophenyl)-2-thioxo-3-(substituted phenyl)-imidazolidin-5-one and spiro ring derivatives thereof; androgen receptor antagonists with minimal agonist activity AR, LHCGR, KLK3 MGLL 4459/4885FAAH 1535/4885PTGS1 600/4885
US-20070254933-A1 Use against hormone refractory prostate cancer; 1-(3-trifluoromethyl-4-cyanophenyl)-2-thioxo-3-(substituted phenyl)-imidazolidin-5-one and spiro ring derivatives thereof; selective androgen receptor modulators; non-steroidal, non-toxic, and tissue selective AR, NR5A1, SHBG MGLL 4758/4885FAAH 2125/4885PTGS1 164/4885
US-20150157656-A1 Method for Treatment of Castration-Resistant Prostate Cancer IGFBP5, IGFBP2, IGFBP1 MGLL 4543/4885FAAH 4601/4885PTGS1 4310/4885
US-20130190507-A1 PROCESSES FOR THE SYNTHESIS OF DIARYLTHIOHYDANTOIN AND DIARYLHYDANTOIN COMPOUNDS BPHL, PTMS, DHPS MGLL 1156/4885FAAH 33/4885PTGS1 63/4885

“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.