Sugi Predict

Sugi Predict / Compounds / SCHEMBL3569934

SCHEMBL3569934

SCHEMBL3569934

CC(C)(C)OC(=O)Nc1ccc(CCCC(=O)O)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1H4 Q96RI1 2/20 0.60
▸ CYP17A1 P05093 1/20 0.53
▸ DRD2 P14416 1/20 0.50
▸ PTGDR2 Q9Y5Y4 1/20 0.50
▸ GLS O94925 1/20 0.49
▸ HSD17B10 Q99714 1/20 0.49
▸ HDAC3 O15379 2/20 0.47
▸ HDAC8 Q9BY41 2/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ ADRA1A P35348 1/20 0.47
▸ HDAC4 P56524 1/20 0.47
▸ SLC6A3 Q01959 1/20 0.47
▸ HDAC1 Q13547 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ HDAC7 Q8WUI4 1/20 0.47
▸ HDAC2 Q92769 1/20 0.47
▸ HDAC10 Q969S8 1/20 0.47
▸ HDAC11 Q96DB2 1/20 0.47
▸ HDAC6 Q9UBN7 1/20 0.47
▸ HDAC9 Q9UKV0 1/20 0.47

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
SCHEMBL1000732 0.91 NR1H4 (0.58) NR1H4CYP17A1DRD2PTGDR2GLS
SCHEMBL10762069 0.91 NR1H4 (0.50) NR1H4CYP17A1DRD2PTGDR2GLS
SCHEMBL3658863 0.89 CYP17A1 (0.53) NR1H4CYP17A1DRD2PTGDR2GLS
SCHEMBL14194648 0.86 NR1H4 (0.57) NR1H4HSD17B10HDAC3HDAC8MAPK1
SCHEMBL21148889 0.86 HDAC8 (0.61) CYP17A1DRD2HDAC3HDAC8HDAC4
SCHEMBL6404856 0.85 CYP17A1 (0.56) CYP17A1DRD2PTGDR2GLSHDAC3
SCHEMBL15014088 0.85 NPC1 (0.62) CYP17A1DRD2PTGDR2GLSSMN1; SMN2
SCHEMBL1314199 0.84 CYP17A1 (0.54) CYP17A1DRD2PTGDR2GLSHDAC3
SCHEMBL13181089 0.84 HPGD (0.57) CYP17A1DRD2S1PR1NPC1HPGD
SCHEMBL13152667 0.84 CYP17A1 (0.54) CYP17A1DRD2PTGDR2GLSHDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230348535-A1 RADIOMETAL-BINDING COMPOUNDS FOR DIAGNOSIS OR TREATMENT OF PROSTATE SPECIFIC MEMBRANE ANTIGEN-EXPRESSING CANCER PROVINCIAL HEALTH SERVICES AUTHORITY (CA) 2023-11-02 — — US disclosed
US-20200339625-A1 NOVEL RADIOMETAL-BINDING COMPOUNDS FOR DIAGNOSIS OR TREATMENT OF PROSTATE SPECIFIC MEMBRANE ANTIGEN-EXPRESSING CANCER PROVINCIAL HEALTH SERVICES AUTHORITY (CA) 2020-10-29 — — US disclosed
US-9896437-B2 Diarylhydantoin compounds THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2018-02-20 — — US disclosed
US-9896437-B2 Diarylhydantoin compounds THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2018-02-20 — — US disclosed
US-9896437-B2 Diarylhydantoin compounds THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2018-02-20 — — US disclosed
US-20150315127-A1 THERAPEUTIC COMPOUNDS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. 2015-11-05 — — US disclosed
US-20150065546-A1 DIARYLHYDANTOIN COMPOUNDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2015-03-05 — — US disclosed
US-20150065546-A1 DIARYLHYDANTOIN COMPOUNDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2015-03-05 — — US disclosed
US-20150065546-A1 DIARYLHYDANTOIN COMPOUNDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2015-03-05 — — US disclosed
EP-2397469-B1 Diarylhydantoin compounds UNIV CALIFORNIA (US) 2014-12-31 — — EP disclosed
US-20090111864-A1 DIARYLHYDANTOIN COMPOUNDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2009-04-30 — — US disclosed
US-20090111864-A1 DIARYLHYDANTOIN COMPOUNDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2009-04-30 — — US disclosed
US-20090111864-A1 DIARYLHYDANTOIN COMPOUNDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2009-04-30 — — US disclosed
WO-2009055053-A2 DIARYLHYDANTOIN COMPOUNDS AS ANDROGEN RECEPTOR MODULATORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2009-04-30 — — WO disclosed
CN-1327443-A Substituted anilide compounds ARVENTIS PHARMACEUTICALS CO LT (GB) 2001-12-19 — — CN disclosed
US-5591769-A PYRROLIDINE DERIVATIVES; ANTICOAGULANTS KARL THOMAE GMBH (DE) 1997-01-07 — — US disclosed
US-5541343-A ANTIAGGLOMERANTS FOR CELLS OR ANTICOAGULANTS KARL THOMAE GMBH (DE) 1996-07-30 — — US disclosed
US-4672071-A Antihypertensive dihydropyridine compositions, optical isomers and intermediates SYNTEX (U.S.A.) INC. (US) 1987-06-09 — — US disclosed
EP-0191448-A2 Antihypertensive dihydropyridine derivatives SYNTEX (U.S.A.) INC. (US) 1986-08-20 — — EP disclosed
US-4595690-A Hypotensive agents SYNTEX (U.S.A.) INC. (US) 1986-06-17 — — US 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 (5 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-20150065546-A1 DIARYLHYDANTOIN COMPOUNDS BPHL, ACP3, AR NR1H4 385/4885CYP17A1 92/4885DRD2 2962/4885
US-20150315127-A1 THERAPEUTIC COMPOUNDS HTR2C, GRK2, GRK3 NR1H4 852/4885CYP17A1 3531/4885DRD2 409/4885
US-20200339625-A1 NOVEL RADIOMETAL-BINDING COMPOUNDS FOR DIAGNOSIS OR TREATMENT OF PROSTATE SPECIFIC MEMBRANE ANTIGEN-EXPRESSING CANCER FOLH1, KLK3, PSMA3 NR1H4 58/4885CYP17A1 1348/4885DRD2 1571/4885
US-20230348535-A1 RADIOMETAL-BINDING COMPOUNDS FOR DIAGNOSIS OR TREATMENT OF PROSTATE SPECIFIC MEMBRANE ANTIGEN-EXPRESSING CANCER FOLH1, KLK3, PSMA3 NR1H4 62/4885CYP17A1 1368/4885DRD2 1337/4885
US-20090111864-A1 DIARYLHYDANTOIN COMPOUNDS BPHL, ACP3, AR NR1H4 385/4885CYP17A1 92/4885DRD2 2962/4885

“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.