SCHEMBL5511403

SCHEMBL5511403

O=C(NCc1cc(C(F)(F)F)ccc1F)C(O)(c1ccc(Cl)c(F)c1)C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.41
USP30 Q70CQ3 1/20 0.41
DDR1 Q08345 1/20 0.41
KMT2A Q03164 2/20 0.40
TP53 P04637 1/20 0.40
LMNA P02545 3/20 0.39
HPGD P15428 1/20 0.38
P2RX7 Q99572 2/20 0.38
TRPV1 Q8NER1 2/20 0.38
SUCNR1 Q9BXA5 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ALDH1A1 P00352 1/20 0.37
EPHX2 P34913 1/20 0.37
PPARG P37231 1/20 0.37
PPARD Q03181 1/20 0.37
PPARA Q07869 1/20 0.37
MAPT P10636 1/20 0.37
IDO1 P14902 1/20 0.36
FPR3 P25089 1/20 0.36

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
SCHEMBL583405 1.00 POLB (0.41) POLBUSP30DDR1KMT2ATP53
SCHEMBL583555 1.00 POLB (0.41) POLBUSP30DDR1KMT2ATP53
SCHEMBL13255835 0.86 MEN1 (0.39) POLBKMT2ALMNAHPGDP2RX7
SCHEMBL582742 0.85 POLB (0.44) POLBUSP30DDR1KMT2ALMNA
SCHEMBL5517353 0.84 KMT2A (0.46) POLBUSP30DDR1KMT2ATP53
SCHEMBL5513992 0.84 KMT2A (0.46) POLBUSP30DDR1KMT2ATP53
SCHEMBL582826 0.84 KMT2A (0.46) POLBUSP30DDR1KMT2ATP53
SCHEMBL13625412 0.80 MEN1 (0.41) KMT2ALMNAHPGDSUCNR1
SCHEMBL582744 0.78 CETP (0.44) POLBUSP30DDR1KMT2ATP53
SCHEMBL582743 0.78 CETP (0.44) POLBUSP30DDR1KMT2ATP53

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
US-7268153-B2 N-(2-benzyl)-2-phenylbutanamides as androgen receptor modulators MERCK & CO., INC. (US) 2007-09-11 US claimed
CN-1976902-A N-(2-benzyl)-2-phenylbutanamides as androgen receptor modulators MERCK & CO INC (US) 2007-06-06 CN claimed
EP-1755572-B1 N- (2-BENZYL) -2-PHENYLBUTANAMIDES AS ANDROGEN RECEPTOR MODULATORS MERCK SHARP & DOHME (US) 2012-02-15 EP disclosed
US-7763659-B2 N-(2-benzyl)-2-phenylbutanamides as androgen receptor modulators MERCK SHARP & DOHME CORP. (US) 2010-07-27 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-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-20080139630-A1 N-(2-Benzyl)-2-Phenylbutanamides As Androgen Receptor Modulators MERCK SHARP & DOHME CORP. 2008-06-12 US 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-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
US-7268153-B2 N-(2-benzyl)-2-phenylbutanamides as androgen receptor modulators MERCK & CO., INC. (US) 2007-09-11 US disclosed
CN-1976902-A N-(2-benzyl)-2-phenylbutanamides as androgen receptor modulators MERCK & CO INC (US) 2007-06-06 CN 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 (2 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-20070225229-A1 N-(2-benzyl)-2-phenylbutanamides as androgen receptor modulators SHBG, AR, BRCA1 POLB 388/4885USP30 3116/4885DDR1 2827/4885
US-20080139630-A1 N-(2-Benzyl)-2-Phenylbutanamides As Androgen Receptor Modulators SHBG, AR, NR5A1 POLB 406/4885USP30 3239/4885DDR1 2778/4885

“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.