Sugi Predict

Sugi Predict / Compounds / SCHEMBL583794

SCHEMBL583794

SCHEMBL583794

O=C(O)C(O)(c1ccccc1)C(F)(F)C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 2/20 0.43
▸ MAPK1 P28482 2/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ PTPN1 P18031 1/20 0.42
▸ ALDH1A1 P00352 4/20 0.41
▸ TSHR P16473 2/20 0.41
▸ KCNN4 O15554 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ LMNA P02545 2/20 0.39
▸ S1PR4 O95977 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ S1PR1 P21453 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ KEAP1 Q14145 1/20 0.39
▸ NFE2L2 Q16236 1/20 0.39
▸ CES1 P23141 1/20 0.39
▸ POLB P06746 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ PDK1 Q15118 2/20 0.38

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
SCHEMBL583285 0.87 CYP1A2 (0.46) CYP1A2MAPK1NPC1RAB9APTPN1
SCHEMBL30450959 0.87 CYP1A2 (0.46) CYP1A2MAPK1NPC1RAB9APTPN1
SCHEMBL997814 0.87 CYP1A2 (0.46) CYP1A2MAPK1NPC1RAB9APTPN1
SCHEMBL9888570 0.87 CYP1A2 (0.46) CYP1A2MAPK1NPC1RAB9APTPN1
SCHEMBL1933910 0.82 CYP1A2 (0.54) CYP1A2PTPN1ALDH1A1TSHRKCNN4
SCHEMBL30940437 0.80 CYP1A2 (0.52) CYP1A2PTPN1ALDH1A1TSHRKCNN4
SCHEMBL29010075 0.77 CYP1A2 (0.45) CYP1A2RAB9APTPN1ALDH1A1TSHR
SCHEMBL4660655 0.76 CYP1A2 (0.48) CYP1A2RAB9APTPN1ALDH1A1TSHR
SCHEMBL29009831 0.76 CYP1A2 (0.48) CYP1A2RAB9APTPN1ALDH1A1TSHR
SCHEMBL404851 0.75 MAPK1 (0.46) MAPK1NPC1RAB9APTPN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1755572-B1 N- (2-BENZYL) -2-PHENYLBUTANAMIDES AS ANDROGEN RECEPTOR MODULATORS MERCK SHARP & DOHME (US) 2012-02-15 — — EP disclosed
EP-1940407-B1 N-(4-OXO-3,4-DIHYDROQUINAZOLIN-2-YL)BUTANAMIDES AS ANDROGEN RECEPTOR MODULATORS MERCK SHARP & DOHME (US) 2010-11-10 — — EP disclosed
US-20100267633-A1 N-(4-Oxo-3,4-Dihydroquinazolin-2Yl) Butanamides as Androgen Receptor Modulators MERCK SHARP & DOHME CORP. 2010-10-21 — — US disclosed
US-7763659-B2 N-(2-benzyl)-2-phenylbutanamides as androgen receptor modulators MERCK SHARP & DOHME CORP. (US) 2010-07-27 — — US disclosed
US-7629367-B2 Tissue-selective androgen receptor modulators (SARMs); male hypogonadism, prostate cancer, benign prostate hyperplasia, sarcopenia, rheumatoid arthritis and osteoarthritis; N-((5-cyclopropyl-2-fluoropyridin-3-yl)methyl)-2-phenylbutanamide for example MERCK & CO., INC. (US) 2009-12-08 — — US disclosed
US-20090275515-A1 2-HYDROXY-2-PHENYLTHIOPHENYLPROPIONAMIDES AS ANDROGEN RECEPTOR MODULATORS MERCK SHARP & DOHME CORP. 2009-11-05 — — US disclosed
EP-1940407-A2 N-(4-OXO-3,4-DIHYDROQUINAZOLIN-2-YL)BUTANAMIDES AS ANDROGEN RECEPTOR MODULATORS Merck & Co., Inc. (US) 2008-07-09 — — EP disclosed
US-20080139630-A1 N-(2-Benzyl)-2-Phenylbutanamides As Androgen Receptor Modulators MERCK SHARP & DOHME CORP. 2008-06-12 — — US disclosed
US-20070225229-A1 N-(2-benzyl)-2-phenylbutanamides as androgen receptor modulators MERCK SHARP & DOHME CORP. 2007-09-27 — — US disclosed
US-7268153-B2 N-(2-benzyl)-2-phenylbutanamides as androgen receptor modulators MERCK & CO., INC. (US) 2007-09-11 — — US disclosed
WO-2007038444-A2 N-(4-OXO-3,4-DIHYDROQUINAZOLIN-2-YL)BUTANAMIDES AS ANDROGEN RECEPTOR MODULATORS MERCK & CO., INC. (US) 2007-04-05 — — WO disclosed
EP-1755572-A2 N- (2-BENZYL) -2-PHENYLBUTANAMIDES AS ANDROGEN RECEPTOR MODULATORS Merck & Co., Inc. (US) 2007-02-28 — — EP disclosed
WO-2005120477-A2 N- (2-BENZYL) -2-PHENYLBUTANAMIDES AS ANDROGEN RECEPTOR MODULATORS MERCK & CO., INC. (US) 2005-12-22 — — WO disclosed
US-20050277681-A1 N-(2-benzyl)-2-phenylbutanamides as androgen receptor modulators MERCK SHARP & DOHME CORP. 2005-12-15 — — 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-20050277681-A1 N-(2-benzyl)-2-phenylbutanamides as androgen receptor modulators SHBG, AR, BRCA1 CYP1A2 800/4885MAPK1 2625/4885NPC1 2304/4885
US-20090275515-A1 2-HYDROXY-2-PHENYLTHIOPHENYLPROPIONAMIDES AS ANDROGEN RECEPTOR MODULATORS SHBG, AR, FSHR CYP1A2 883/4885MAPK1 3437/4885NPC1 3697/4885
US-20100267633-A1 N-(4-Oxo-3,4-Dihydroquinazolin-2Yl) Butanamides as Androgen Receptor Modulators AR, FSHR, SHBG CYP1A2 958/4885MAPK1 2986/4885NPC1 4371/4885
US-20070225229-A1 N-(2-benzyl)-2-phenylbutanamides as androgen receptor modulators SHBG, AR, BRCA1 CYP1A2 800/4885MAPK1 2625/4885NPC1 2304/4885
US-20080139630-A1 N-(2-Benzyl)-2-Phenylbutanamides As Androgen Receptor Modulators SHBG, AR, NR5A1 CYP1A2 758/4885MAPK1 2573/4885NPC1 2182/4885

“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.