SCHEMBL5114219

SCHEMBL5114219

CC[C@H](C(=O)NCc1cc(C(F)(F)F)cnc1NCCNC(=O)O)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
POLB P06746 2/20 0.46
ALDH1A1 P00352 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
GAA P10253 2/20 0.44
CCR2 P41597 4/20 0.41
KDM4A O75164 1/20 0.40
TACR1 P25103 1/20 0.40
THRB P10828 1/20 0.39
KCNQ2 O43526 1/20 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
SCHEMBL14192045 0.88 PTGDR2 (0.41) MEN1KMT2APOLBALDH1A1SMN1; SMN2
SCHEMBL5107317 0.87 SMN1; SMN2 (0.50) MEN1KMT2APOLBALDH1A1SMN1; SMN2
SCHEMBL583126 0.84 MEN1 (0.51) MEN1KMT2APOLBALDH1A1SMN1; SMN2
SCHEMBL583125 0.84 MEN1 (0.51) MEN1KMT2APOLBALDH1A1SMN1; SMN2
SCHEMBL582663 0.83 MEN1 (0.52) MEN1KMT2APOLBALDH1A1SMN1; SMN2
SCHEMBL582664 0.83 MEN1 (0.52) MEN1KMT2APOLBALDH1A1SMN1; SMN2
SCHEMBL5104107 0.81 MEN1 (0.49) MEN1KMT2APOLBALDH1A1SMN1; SMN2
SCHEMBL23640061 0.75 MEN1 (0.58) MEN1KMT2APOLBALDH1A1SMN1; SMN2
SCHEMBL582537 0.75 MEN1 (0.58) MEN1KMT2APOLBALDH1A1SMN1; SMN2
SCHEMBL582538 0.75 MEN1 (0.58) MEN1KMT2APOLBALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080124402-A1 N-(Pyridin-3-Yl)-2-Phenylbutanamides As Androgen Receptor Modulators MERCK & CO., INC. (US) 2008-05-29 US claimed
EP-1807076-A1 N-(PYRIDIN-3-YL)-2-PHENYLBUTANAMIDES AS ANDROGEN RECEPTOR MODULATORS Merck & Co., Inc. (US) 2007-07-18 EP claimed
WO-2006060108-A1 N-(PYRIDIN-3-YL)-2-PHENYLBUTANAMIDES AS ANDROGEN RECEPTOR MODULATORS MERCK & CO., INC. (US) 2006-06-08 WO claimed
US-20080124402-A1 N-(Pyridin-3-Yl)-2-Phenylbutanamides As Androgen Receptor Modulators MERCK & CO., INC. (US) 2008-05-29 US disclosed
EP-1807076-A1 N-(PYRIDIN-3-YL)-2-PHENYLBUTANAMIDES AS ANDROGEN RECEPTOR MODULATORS Merck & Co., Inc. (US) 2007-07-18 EP disclosed
WO-2006060108-A1 N-(PYRIDIN-3-YL)-2-PHENYLBUTANAMIDES AS ANDROGEN RECEPTOR MODULATORS MERCK & CO., INC. (US) 2006-06-08 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-20080124402-A1 N-(Pyridin-3-Yl)-2-Phenylbutanamides As Androgen Receptor Modulators SHBG, AR, NR5A1 MEN1 2668/4885KMT2A 1791/4885POLB 451/4885

“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.